(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C14H19ClF2N2O — CID 119717254

IUPAC(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)12(16)8-10;/h5-6,8,13,17H,2-4,7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyYDYJOJUPKGGLCR-ZOWNYOTGSA-N
MW304.77 g/mol
LogP2.49
Rot. Bonds3

About (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119717254) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119717254
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)12(16)8-10;/h5-6,8,13,17H,2-4,7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyYDYJOJUPKGGLCR-ZOWNYOTGSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(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
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119717254) is (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is YDYJOJUPKGGLCR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)12(16)8-10;/h5-6,8,13,17H,2-4,7,9H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119717254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).