4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide

C18H24N4O2 — CID 125442891

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C18H24N4O2/c1-14(7-8-15-5-3-2-4-6-15)20-18(23)22-11-9-16(10-12-22)17-19-13-24-21-17/h2-6,13-14,16H,7-12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyHOYMJBVGSWRYSP-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.98
Rot. Bonds5

About 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide

4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide (PubChem CID 125442891) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
PubChem CID125442891
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C18H24N4O2/c1-14(7-8-15-5-3-2-4-6-15)20-18(23)22-11-9-16(10-12-22)17-19-13-24-21-17/h2-6,13-14,16H,7-12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyHOYMJBVGSWRYSP-AWEZNQCLSA-N
XLogP2.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019592
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 93071884
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 126435416
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide (CID 125442891) is 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide?
The InChIKey is HOYMJBVGSWRYSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(7-8-15-5-3-2-4-6-15)20-18(23)22-11-9-16(10-12-22)17-19-13-24-21-17/h2-6,13-14,16H,7-12H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide?
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 125442891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).