N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

C21H25ClN2O — CID 1076471

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18/h2-10,19H,11-16H2,1H3
InChIKeyXWQCQAUYHYYLEA-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.21
Rot. Bonds5

About N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 1076471) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID1076471
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18/h2-10,19H,11-16H2,1H3
InChIKeyXWQCQAUYHYYLEA-UHFFFAOYSA-N
XLogP4.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 100687495
N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92679094

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 1076471) is N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XWQCQAUYHYYLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18/h2-10,19H,11-16H2,1H3.
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 1076471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).