(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C14H20ClFN2O — CID 120620325

IUPAC(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1F.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-7-12(3-4-13(9)15)17-14(18)11-5-6-16-10(2)8-11;/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18);1H/t10-,11-;/m0./s1
InChIKeyQIAQKASQLCIRBQ-ACMTZBLWSA-N
MW286.78 g/mol
LogP2.88
Rot. Bonds2

About (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620325) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620325
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1F.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-7-12(3-4-13(9)15)17-14(18)11-5-6-16-10(2)8-11;/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18);1H/t10-,11-;/m0./s1
InChIKeyQIAQKASQLCIRBQ-ACMTZBLWSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635307
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620325) is (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is Cc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1F.Cl.
What is the InChIKey of (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QIAQKASQLCIRBQ-ACMTZBLWSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-9-7-12(3-4-13(9)15)17-14(18)11-5-6-16-10(2)8-11;/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).