1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C24H30N4O3 — CID 53003958

IUPAC1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(C5CCCC5)C4)CC3)n2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-6-8-17(9-7-16)22-25-23(31-26-22)18-10-12-27(13-11-18)24(30)19-14-21(29)28(15-19)20-4-2-3-5-20/h6-9,18-20H,2-5,10-15H2,1H3
InChIKeyOBBKOIAKVPIZJS-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one

1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 53003958) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID53003958
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(C5CCCC5)C4)CC3)n2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-6-8-17(9-7-16)22-25-23(31-26-22)18-10-12-27(13-11-18)24(30)19-14-21(29)28(15-19)20-4-2-3-5-20/h6-9,18-20H,2-5,10-15H2,1H3
InChIKeyOBBKOIAKVPIZJS-UHFFFAOYSA-N
XLogP3.54
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
(4R)-1-cyclopropyl-4-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 94526728
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 86889081
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
CID 91916943
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 53003958) is 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(C5CCCC5)C4)CC3)n2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OBBKOIAKVPIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-6-8-17(9-7-16)22-25-23(31-26-22)18-10-12-27(13-11-18)24(30)19-14-21(29)28(15-19)20-4-2-3-5-20/h6-9,18-20H,2-5,10-15H2,1H3.
What are the key properties of 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 53003958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).