N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C27H27Cl2N3O2 — CID 43923445

IUPACN-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C27H27Cl2N3O2/c28-23-13-12-20(15-24(23)29)17-32-14-6-9-21(18-32)26(33)31-25-11-5-4-10-22(25)27(34)30-16-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,30,34)(H,31,33)
InChIKeyPMXCIVHFGHWPKU-UHFFFAOYSA-N
MW496.44 g/mol
LogP5.77
Rot. Bonds7

About N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923445) has the molecular formula C27H27Cl2N3O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43923445
Molecular FormulaC27H27Cl2N3O2
Molecular Weight496.44 g/mol
Exact Mass495.15
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C27H27Cl2N3O2/c28-23-13-12-20(15-24(23)29)17-32-14-6-9-21(18-32)26(33)31-25-11-5-4-10-22(25)27(34)30-16-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,30,34)(H,31,33)
InChIKeyPMXCIVHFGHWPKU-UHFFFAOYSA-N
XLogP5.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-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-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923526
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926199
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-[(2,4-dichlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925588
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43923445) is N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is PMXCIVHFGHWPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O2/c28-23-13-12-20(15-24(23)29)17-32-14-6-9-21(18-32)26(33)31-25-11-5-4-10-22(25)27(34)30-16-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,30,34)(H,31,33).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 496.44 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).