(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C13H17Cl2FN2O — CID 120620459

IUPAC(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)CCN1.Cl
InChIInChI=1S/C13H16ClFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyJJOBUCOHLRIJGQ-OZZZDHQUSA-N
MW307.20 g/mol
LogP3.23
Rot. Bonds2

About (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620459) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620459
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)CCN1.Cl
InChIInChI=1S/C13H16ClFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyJJOBUCOHLRIJGQ-OZZZDHQUSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.23
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
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
(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-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620459) is (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is JJOBUCOHLRIJGQ-OZZZDHQUSA-N. The full InChI is InChI=1S/C13H16ClFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1.
What are the key properties of (2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 307.20 g/mol, XLogP of 3.23, 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-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).