(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H24ClFN2O2 — CID 120636090

IUPAC(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-10-9-12(7-8-18-10)16(20)19-11(2)15-13(17)5-4-6-14(15)21-3;/h4-6,10-12,18H,7-9H2,1-3H3,(H,19,20);1H/t10-,11?,12-;/m0./s1
InChIKeySTCQOPMPVWOSJZ-FLTGHQHWSA-N
MW330.83 g/mol
LogP2.82
Rot. Bonds4

About (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636090) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636090
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Name(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-10-9-12(7-8-18-10)16(20)19-11(2)15-13(17)5-4-6-14(15)21-3;/h4-6,10-12,18H,7-9H2,1-3H3,(H,19,20);1H/t10-,11?,12-;/m0./s1
InChIKeySTCQOPMPVWOSJZ-FLTGHQHWSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120636091
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335121
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636090) is (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cccc(F)c1C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is STCQOPMPVWOSJZ-FLTGHQHWSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-10-9-12(7-8-18-10)16(20)19-11(2)15-13(17)5-4-6-14(15)21-3;/h4-6,10-12,18H,7-9H2,1-3H3,(H,19,20);1H/t10-,11?,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).