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

C17H25FN2O2 — CID 120641315

IUPAC(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCOC(c1ccccc1F)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H25FN2O2/c1-11-10-13(8-9-19-11)17(21)20-12(2)16(22-3)14-6-4-5-7-15(14)18/h4-7,11-13,16,19H,8-10H2,1-3H3,(H,20,21)/t11-,12?,13-,16?/m0/s1
InChIKeyZTLJTKUHEOTMFT-AJAZOQAWSA-N
MW308.40 g/mol
LogP2.41
Rot. Bonds5

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

(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120641315) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120641315
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCOC(c1ccccc1F)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H25FN2O2/c1-11-10-13(8-9-19-11)17(21)20-12(2)16(22-3)14-6-4-5-7-15(14)18/h4-7,11-13,16,19H,8-10H2,1-3H3,(H,20,21)/t11-,12?,13-,16?/m0/s1
InChIKeyZTLJTKUHEOTMFT-AJAZOQAWSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.41
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;hydrochloride
CID 120641101
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 120640865
(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
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
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
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide (CID 120641315) is (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide is COC(c1ccccc1F)C(C)NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ZTLJTKUHEOTMFT-AJAZOQAWSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11-10-13(8-9-19-11)17(21)20-12(2)16(22-3)14-6-4-5-7-15(14)18/h4-7,11-13,16,19H,8-10H2,1-3H3,(H,20,21)/t11-,12?,13-,16?/m0/s1.
What are the key properties of (2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.41, 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-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120641315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).