N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C21H24Cl2N2O — CID 133159220

IUPACN-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15(17-6-10-20(23)11-7-17)24-21(26)18-3-2-12-25(14-18)13-16-4-8-19(22)9-5-16/h4-11,15,18H,2-3,12-14H2,1H3,(H,24,26)
InChIKeyMVGKUDLSESRUQK-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.08
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 133159220) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID133159220
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-15(17-6-10-20(23)11-7-17)24-21(26)18-3-2-12-25(14-18)13-16-4-8-19(22)9-5-16/h4-11,15,18H,2-3,12-14H2,1H3,(H,24,26)
InChIKeyMVGKUDLSESRUQK-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
N-[1-(4-chlorophenyl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 133260443
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-3-carboxamide
CID 100678013
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 133159220) is N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MVGKUDLSESRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-15(17-6-10-20(23)11-7-17)24-21(26)18-3-2-12-25(14-18)13-16-4-8-19(22)9-5-16/h4-11,15,18H,2-3,12-14H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.34 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 133159220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).