(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C14H21ClN2O — CID 119688344

IUPAC(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-14(17)13-8-4-5-9-15-13;/h2-3,6-7,13,15H,4-5,8-10H2,1H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyPUWUYBMVFBRPTB-ZOWNYOTGSA-N
MW268.79 g/mol
LogP2.18
Rot. Bonds3

About (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119688344) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119688344
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-14(17)13-8-4-5-9-15-13;/h2-3,6-7,13,15H,4-5,8-10H2,1H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyPUWUYBMVFBRPTB-ZOWNYOTGSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119688344) is (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is Cc1ccccc1CNC(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is PUWUYBMVFBRPTB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-6-2-3-7-12(11)10-16-14(17)13-8-4-5-9-15-13;/h2-3,6-7,13,15H,4-5,8-10H2,1H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119688344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).