1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide

C21H22ClN3O — CID 24952722

IUPAC1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide
SMILESNC(=O)c1cc2c(C3CCNCC3)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c22-18-6-2-1-4-15(18)13-25-19-7-3-5-16(14-8-10-24-11-9-14)17(19)12-20(25)21(23)26/h1-7,12,14,24H,8-11,13H2,(H2,23,26)
InChIKeyPCUFFKYDXDGJKB-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide

1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide (PubChem CID 24952722) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide
PubChem CID24952722
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide
SMILESNC(=O)c1cc2c(C3CCNCC3)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c22-18-6-2-1-4-15(18)13-25-19-7-3-5-16(14-8-10-24-11-9-14)17(19)12-20(25)21(23)26/h1-7,12,14,24H,8-11,13H2,(H2,23,26)
InChIKeyPCUFFKYDXDGJKB-UHFFFAOYSA-N
XLogP3.91
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide (CID 24952722) is 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide is NC(=O)c1cc2c(C3CCNCC3)cccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide?
The InChIKey is PCUFFKYDXDGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-6-2-1-4-15(18)13-25-19-7-3-5-16(14-8-10-24-11-9-14)17(19)12-20(25)21(23)26/h1-7,12,14,24H,8-11,13H2,(H2,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide?
1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide is sourced from PubChem (CID 24952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).