N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H19ClN2O — CID 54944765

IUPACN-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-17(10-11-5-7-12(15)8-6-11)14(18)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyGLPKWPVRDLNYJC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.44
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 54944765) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID54944765
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-17(10-11-5-7-12(15)8-6-11)14(18)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyGLPKWPVRDLNYJC-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 54944765) is N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1CCCCN1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is GLPKWPVRDLNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(10-11-5-7-12(15)8-6-11)14(18)13-4-2-3-9-16-13/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54944765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).