(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H28N4O4S — CID 52909972

IUPAC(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H28N4O4S/c30-25(26-19-11-8-14-21(17-19)34(31,32)20-12-4-5-13-20)29-16-7-6-15-22(29)24-27-23(28-33-24)18-9-2-1-3-10-18/h1-3,8-11,14,17,20,22H,4-7,12-13,15-16H2,(H,26,30)/t22-/m1/s1
InChIKeyCBWGEUFMHMWNRW-JOCHJYFZSA-N
MW480.59 g/mol
LogP5.21
Rot. Bonds5

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

(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 52909972) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID52909972
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H28N4O4S/c30-25(26-19-11-8-14-21(17-19)34(31,32)20-12-4-5-13-20)29-16-7-6-15-22(29)24-27-23(28-33-24)18-9-2-1-3-10-18/h1-3,8-11,14,17,20,22H,4-7,12-13,15-16H2,(H,26,30)/t22-/m1/s1
InChIKeyCBWGEUFMHMWNRW-JOCHJYFZSA-N
XLogP5.21
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2S)-N-(3-bromophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 7481960
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)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 7288844
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 162666113
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 52909972) is (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CBWGEUFMHMWNRW-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-25(26-19-11-8-14-21(17-19)34(31,32)20-12-4-5-13-20)29-16-7-6-15-22(29)24-27-23(28-33-24)18-9-2-1-3-10-18/h1-3,8-11,14,17,20,22H,4-7,12-13,15-16H2,(H,26,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyclopentylsulfonylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 52909972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).