N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide

C21H25ClN2O — CID 3500831

IUPACN-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H25ClN2O/c1-23(14-17-7-3-2-4-8-17)21(25)19-10-6-12-24(16-19)15-18-9-5-11-20(22)13-18/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3
InChIKeyIAZWNNACOSEBDJ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.21
Rot. Bonds5

About N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide

N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 3500831) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID3500831
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H25ClN2O/c1-23(14-17-7-3-2-4-8-17)21(25)19-10-6-12-24(16-19)15-18-9-5-11-20(22)13-18/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3
InChIKeyIAZWNNACOSEBDJ-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 3500831) is N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is IAZWNNACOSEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-23(14-17-7-3-2-4-8-17)21(25)19-10-6-12-24(16-19)15-18-9-5-11-20(22)13-18/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3.
What are the key properties of N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
N-benzyl-1-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-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-[(3-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 3500831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).