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

C23H26N4O2 — CID 7288844

IUPAC(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)17-11-13-19(14-12-17)24-23(28)27-15-7-6-10-20(27)22-25-21(26-29-22)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyYFSPDXIUMMABLD-FQEVSTJZSA-N
MW390.49 g/mol
LogP5.62
Rot. Bonds4

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

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 7288844) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID7288844
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)17-11-13-19(14-12-17)24-23(28)27-15-7-6-10-20(27)22-25-21(26-29-22)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyYFSPDXIUMMABLD-FQEVSTJZSA-N
XLogP5.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 162676057
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
N-(4-bromophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4018213
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4239791
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 162666113
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (CID 7288844) is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is YFSPDXIUMMABLD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)17-11-13-19(14-12-17)24-23(28)27-15-7-6-10-20(27)22-25-21(26-29-22)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 7288844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).