(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C17H26ClFN2O2 — CID 120641101

IUPAC(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-11-10-14(8-9-19-11)17(21)20-12(2)16(22-3)13-4-6-15(18)7-5-13;/h4-7,11-12,14,16,19H,8-10H2,1-3H3,(H,20,21);1H/t11-,12?,14-,16?;/m0./s1
InChIKeyKAFSXCFQEJMTBG-LVVBYOPBSA-N
MW344.86 g/mol
LogP2.83
Rot. Bonds5

About (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120641101) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120641101
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-11-10-14(8-9-19-11)17(21)20-12(2)16(22-3)13-4-6-15(18)7-5-13;/h4-7,11-12,14,16,19H,8-10H2,1-3H3,(H,20,21);1H/t11-,12?,14-,16?;/m0./s1
InChIKeyKAFSXCFQEJMTBG-LVVBYOPBSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636090
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120636091
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120641101) is (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COC(c1ccc(F)cc1)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KAFSXCFQEJMTBG-LVVBYOPBSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c1-11-10-14(8-9-19-11)17(21)20-12(2)16(22-3)13-4-6-15(18)7-5-13;/h4-7,11-12,14,16,19H,8-10H2,1-3H3,(H,20,21);1H/t11-,12?,14-,16?;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120641101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).