(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide

C24H28N4O2 — CID 92733375

IUPAC(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C24H28N4O2/c1-3-18-7-4-5-9-21(18)25-23(29)20-8-6-14-28(15-20)16-22-26-24(30-27-22)19-12-10-17(2)11-13-19/h4-5,7,9-13,20H,3,6,8,14-16H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyUIMQXIXFYPOVAG-FQEVSTJZSA-N
MW404.51 g/mol
LogP4.46
Rot. Bonds6

About (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide

(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 92733375) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID92733375
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C24H28N4O2/c1-3-18-7-4-5-9-21(18)25-23(29)20-8-6-14-28(15-20)16-22-26-24(30-27-22)19-12-10-17(2)11-13-19/h4-5,7,9-13,20H,3,6,8,14-16H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyUIMQXIXFYPOVAG-FQEVSTJZSA-N
XLogP4.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814427
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43931962
(3S)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3R)-2-oxoazepan-3-yl]piperidine-3-carboxamide
CID 92733335
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (CID 92733375) is (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1.
What is the InChIKey of (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is UIMQXIXFYPOVAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-18-7-4-5-9-21(18)25-23(29)20-8-6-14-28(15-20)16-22-26-24(30-27-22)19-12-10-17(2)11-13-19/h4-5,7,9-13,20H,3,6,8,14-16H2,1-2H3,(H,25,29)/t20-/m0/s1.
What are the key properties of (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92733375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).