(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide

C17H21FN4O2 — CID 95278188

IUPAC(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@H]1C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H21FN4O2/c1-11-5-3-4-10-22(11)17(23)19-12(2)16-20-15(21-24-16)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
InChIKeyLTFINFIOOFOURF-NEPJUHHUSA-N
MW332.38 g/mol
LogP3.52
Rot. Bonds3

About (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide

(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide (PubChem CID 95278188) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
PubChem CID95278188
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@H]1C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H21FN4O2/c1-11-5-3-4-10-22(11)17(23)19-12(2)16-20-15(21-24-16)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
InChIKeyLTFINFIOOFOURF-NEPJUHHUSA-N
XLogP3.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
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(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
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4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
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(2R)-N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 812741
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 94813254
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide (CID 95278188) is (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide is C[C@H](NC(=O)N1CCCC[C@H]1C)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is LTFINFIOOFOURF-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-5-3-4-10-22(11)17(23)19-12(2)16-20-15(21-24-16)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide?
(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 95278188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).