1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C30H32ClN3O — CID 50807813

IUPAC1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C30H32ClN3O/c1-22-8-2-3-10-25(22)19-32-30(35)23-14-16-33(17-15-23)21-27-18-24-9-5-7-13-29(24)34(27)20-26-11-4-6-12-28(26)31/h2-13,18,23H,14-17,19-21H2,1H3,(H,32,35)
InChIKeyJFVJUJIAWUSRPT-UHFFFAOYSA-N
MW486.06 g/mol
LogP6.18
Rot. Bonds7

About 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50807813) has the molecular formula C30H32ClN3O and a molecular weight of 486.06 g/mol. Its IUPAC name is 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID50807813
Molecular FormulaC30H32ClN3O
Molecular Weight486.06 g/mol
Exact Mass485.22
IUPAC Name1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C30H32ClN3O/c1-22-8-2-3-10-25(22)19-32-30(35)23-14-16-33(17-15-23)21-27-18-24-9-5-7-13-29(24)34(27)20-26-11-4-6-12-28(26)31/h2-13,18,23H,14-17,19-21H2,1H3,(H,32,35)
InChIKeyJFVJUJIAWUSRPT-UHFFFAOYSA-N
XLogP6.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.06
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 50807763
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 50807719
N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide
CID 22585874
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50807526
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 50807813) is 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JFVJUJIAWUSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O/c1-22-8-2-3-10-25(22)19-32-30(35)23-14-16-33(17-15-23)21-27-18-24-9-5-7-13-29(24)34(27)20-26-11-4-6-12-28(26)31/h2-13,18,23H,14-17,19-21H2,1H3,(H,32,35).
What are the key properties of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).