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

C24H30N4O3 — CID 90641553

IUPAC4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)CC2=O)cc1C
InChIInChI=1S/C24H30N4O3/c1-15-5-8-20(10-16(15)2)28-14-19(12-22(28)29)24(30)27-9-3-4-17(13-27)11-21-25-23(26-31-21)18-6-7-18/h5,8,10,17-19H,3-4,6-7,9,11-14H2,1-2H3
InChIKeyZJGWNANCLBKSSY-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.40
Rot. Bonds5

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

4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 90641553) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID90641553
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)CC2=O)cc1C
InChIInChI=1S/C24H30N4O3/c1-15-5-8-20(10-16(15)2)28-14-19(12-22(28)29)24(30)27-9-3-4-17(13-27)11-21-25-23(26-31-21)18-6-7-18/h5,8,10,17-19H,3-4,6-7,9,11-14H2,1-2H3
InChIKeyZJGWNANCLBKSSY-UHFFFAOYSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 90641553) is 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)CC2=O)cc1C.
What is the InChIKey of 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is ZJGWNANCLBKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15-5-8-20(10-16(15)2)28-14-19(12-22(28)29)24(30)27-9-3-4-17(13-27)11-21-25-23(26-31-21)18-6-7-18/h5,8,10,17-19H,3-4,6-7,9,11-14H2,1-2H3.
What are the key properties of 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).