(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C21H19N5O2 — CID 51407287

IUPAC(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H19N5O2/c22-14-15-7-6-10-17(13-15)23-21(27)26-12-5-4-11-18(26)20-24-19(25-28-20)16-8-2-1-3-9-16/h1-3,6-10,13,18H,4-5,11-12H2,(H,23,27)/t18-/m0/s1
InChIKeyLSCLWBKRYORBSA-SFHVURJKSA-N
MW373.42 g/mol
LogP4.37
Rot. Bonds3

About (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 51407287) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID51407287
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H19N5O2/c22-14-15-7-6-10-17(13-15)23-21(27)26-12-5-4-11-18(26)20-24-19(25-28-20)16-8-2-1-3-9-16/h1-3,6-10,13,18H,4-5,11-12H2,(H,23,27)/t18-/m0/s1
InChIKeyLSCLWBKRYORBSA-SFHVURJKSA-N
XLogP4.37
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2R)-N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057843
(2S)-N-(4-cyanophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7296755
(2S)-N-(3-bromophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 7481960
(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 52909972
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058083
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 7288844
(2S)-N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7411418
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 162666113

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 51407287) is (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LSCLWBKRYORBSA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-14-15-7-6-10-17(13-15)23-21(27)26-12-5-4-11-18(26)20-24-19(25-28-20)16-8-2-1-3-9-16/h1-3,6-10,13,18H,4-5,11-12H2,(H,23,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 51407287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).