N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide

C14H19ClN2O — CID 110851383

IUPACN-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-17-9-5-4-8-13(17)14(18)16-10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIDTCSOPEUOHTFK-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.44
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide (PubChem CID 110851383) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
PubChem CID110851383
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-17-9-5-4-8-13(17)14(18)16-10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIDTCSOPEUOHTFK-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

(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
CID 97187936
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468963
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
CID 45182568
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylazepane-2-carboxamide
CID 72919277

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide (CID 110851383) is N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide is CN1CCCCC1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is IDTCSOPEUOHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-9-5-4-8-13(17)14(18)16-10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-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-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 110851383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).