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

C19H22N4O3 — CID 60525395

IUPAC1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1noc(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-13-20-18(26-21-13)14-8-11-22(12-9-14)19(25)15-4-6-16(7-5-15)23-10-2-3-17(23)24/h4-7,14H,2-3,8-12H2,1H3
InChIKeyALOAOXMITUUUBR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.52
Rot. Bonds3

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

1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 60525395) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID60525395
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1noc(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-13-20-18(26-21-13)14-8-11-22(12-9-14)19(25)15-4-6-16(7-5-15)23-10-2-3-17(23)24/h4-7,14H,2-3,8-12H2,1H3
InChIKeyALOAOXMITUUUBR-UHFFFAOYSA-N
XLogP2.52
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 136579646
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 158231096
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55885845
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 60525395) is 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is Cc1noc(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1.
What is the InChIKey of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is ALOAOXMITUUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-20-18(26-21-13)14-8-11-22(12-9-14)19(25)15-4-6-16(7-5-15)23-10-2-3-17(23)24/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 60525395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).