(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C15H22ClFN2O3 — CID 120631536

IUPAC(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OC.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16;/h7-10,17H,4-6H2,1-3H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyNEGMUTSAIXEELJ-IYPAPVHQSA-N
MW332.80 g/mol
LogP2.59
Rot. Bonds4

About (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120631536) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120631536
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OC.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16;/h7-10,17H,4-6H2,1-3H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyNEGMUTSAIXEELJ-IYPAPVHQSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
(2S,4S)-N-(5-fluoro-2-propan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120630411
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120631536) is (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cc(F)c(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1OC.Cl.
What is the InChIKey of (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NEGMUTSAIXEELJ-IYPAPVHQSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16;/h7-10,17H,4-6H2,1-3H3,(H,18,19);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).