(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride

C13H18ClFN2O — CID 119674019

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-5-6-10(14)8-12(9)16-13(17)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyAVRRYYOVKDVBDV-MERQFXBCSA-N
MW272.75 g/mol
LogP2.64
Rot. Bonds2

About (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119674019) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119674019
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-5-6-10(14)8-12(9)16-13(17)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyAVRRYYOVKDVBDV-MERQFXBCSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119674019) is (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride is Cc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is AVRRYYOVKDVBDV-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-5-6-10(14)8-12(9)16-13(17)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119674019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).