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

C29H30ClN3O — CID 50807642

IUPACN-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C29H30ClN3O/c30-27-12-6-4-11-25(27)20-33-26(18-24-10-5-7-13-28(24)33)21-32-16-14-23(15-17-32)29(34)31-19-22-8-2-1-3-9-22/h1-13,18,23H,14-17,19-21H2,(H,31,34)
InChIKeySIBQHKIGBSIGOR-UHFFFAOYSA-N
MW472.03 g/mol
LogP5.87
Rot. Bonds7

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

N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 50807642) has the molecular formula C29H30ClN3O and a molecular weight of 472.03 g/mol. Its IUPAC name is N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID50807642
Molecular FormulaC29H30ClN3O
Molecular Weight472.03 g/mol
Exact Mass471.21
IUPAC NameN-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C29H30ClN3O/c30-27-12-6-4-11-25(27)20-33-26(18-24-10-5-7-13-28(24)33)21-32-16-14-23(15-17-32)29(34)31-19-22-8-2-1-3-9-22/h1-13,18,23H,14-17,19-21H2,(H,31,34)
InChIKeySIBQHKIGBSIGOR-UHFFFAOYSA-N
XLogP5.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]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

1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807813
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 50807763
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-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 50807642) is N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SIBQHKIGBSIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O/c30-27-12-6-4-11-25(27)20-33-26(18-24-10-5-7-13-28(24)33)21-32-16-14-23(15-17-32)29(34)31-19-22-8-2-1-3-9-22/h1-13,18,23H,14-17,19-21H2,(H,31,34).
What are the key properties of N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 472.03 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).