4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one

C19H28N4O3 — CID 91916943

IUPAC4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
SMILESCC(=O)N1CCC(c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(24)22-9-7-14(8-10-22)19-20-18(21-26-19)15-11-17(25)23(12-15)16-5-3-2-4-6-16/h14-16H,2-12H2,1H3
InChIKeyYGZMUQQIWLUSFQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.44
Rot. Bonds3

About 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one

4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one (PubChem CID 91916943) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
PubChem CID91916943
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
SMILESCC(=O)N1CCC(c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(24)22-9-7-14(8-10-22)19-20-18(21-26-19)15-11-17(25)23(12-15)16-5-3-2-4-6-16/h14-16H,2-12H2,1H3
InChIKeyYGZMUQQIWLUSFQ-UHFFFAOYSA-N
XLogP2.44
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
CID 129452872
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 53003958
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
1-cyclopropyl-4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 71872964
(4S)-1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746330
(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746206
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
(4S)-1-cyclohexyl-4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746254
(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746311

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one (CID 91916943) is 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one is CC(=O)N1CCC(c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)CC1.
What is the InChIKey of 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The InChIKey is YGZMUQQIWLUSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(24)22-9-7-14(8-10-22)19-20-18(21-26-19)15-11-17(25)23(12-15)16-5-3-2-4-6-16/h14-16H,2-12H2,1H3.
What are the key properties of 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 91916943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).