1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.

Indolecarboxamides and derivatives

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Indolecarboxylic acids and derivatives

Calculated Property

kind Value Source
logP 4.49 ALOGPS
logS -4.8 ALOGPS
Water Solubility 6.97e-03 g/l ALOGPS
logP 3.61 ChemAxon
IUPAC Name 1-{[(4-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide ChemAxon
Traditional IUPAC Name 1-{[(4-chlorophenyl)carbamoyl]methyl}-N-(1-isopropylpiperidin-4-yl)indole-2-carboxamide ChemAxon
Molecular Weight 452.976 ChemAxon
Monoisotopic Weight 452.197903899 ChemAxon
SMILES CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1 ChemAxon
Molecular Formula C25H29ClN4O2 ChemAxon
InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32) ChemAxon
InChIKey InChIKey=BDLMBQRBNPDCSS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.37 ChemAxon
Refractivity 129.68 ChemAxon
Polarizability 48.6 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.29 ChemAxon
pKa (strongest basic) 9.15 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Coagulation factor X : in Human