N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

C27H29ClN2O — CID 43918918

IUPACN,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(C1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29ClN2O/c28-26-16-8-7-14-24(26)20-29-17-9-15-25(21-29)27(31)30(18-22-10-3-1-4-11-22)19-23-12-5-2-6-13-23/h1-8,10-14,16,25H,9,15,17-21H2
InChIKeyLTBQCGCJLNACIW-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.78
Rot. Bonds7

About N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918918) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43918918
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC NameN,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(C1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29ClN2O/c28-26-16-8-7-14-24(26)20-29-17-9-15-25(21-29)27(31)30(18-22-10-3-1-4-11-22)19-23-12-5-2-6-13-23/h1-8,10-14,16,25H,9,15,17-21H2
InChIKeyLTBQCGCJLNACIW-UHFFFAOYSA-N
XLogP5.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
N-(2-benzylsulfanylethyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43920746
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43918918) is N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(C1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LTBQCGCJLNACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c28-26-16-8-7-14-24(26)20-29-17-9-15-25(21-29)27(31)30(18-22-10-3-1-4-11-22)19-23-12-5-2-6-13-23/h1-8,10-14,16,25H,9,15,17-21H2.
What are the key properties of N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 433.00 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).