(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H24ClFN2O — CID 120637776

IUPAC(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14;/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20);1H/t12-,14-;/m0./s1
InChIKeyYXMRJJFMPKNHCP-KYSPHBLOSA-N
MW314.83 g/mol
LogP2.60
Rot. Bonds4

About (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120637776) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120637776
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14;/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20);1H/t12-,14-;/m0./s1
InChIKeyYXMRJJFMPKNHCP-KYSPHBLOSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[(2-bromo-4-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624298
(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120637776) is (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is Cc1cc(F)ccc1CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YXMRJJFMPKNHCP-KYSPHBLOSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-11-9-15(17)4-3-13(11)5-8-19-16(20)14-6-7-18-12(2)10-14;/h3-4,9,12,14,18H,5-8,10H2,1-2H3,(H,19,20);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).