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

C26H29N5O3 — CID 46321714

IUPAC4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3=O)c2)no1
InChIInChI=1S/C26H29N5O3/c1-17-6-4-9-23(18(17)2)29-10-12-30(13-11-29)26(33)21-15-24(32)31(16-21)22-8-5-7-20(14-22)25-27-19(3)34-28-25/h4-9,14,21H,10-13,15-16H2,1-3H3
InChIKeyJMKPFDHTMBUXGO-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.36
Rot. Bonds4

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

4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one (PubChem CID 46321714) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
PubChem CID46321714
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3=O)c2)no1
InChIInChI=1S/C26H29N5O3/c1-17-6-4-9-23(18(17)2)29-10-12-30(13-11-29)26(33)21-15-24(32)31(16-21)22-8-5-7-20(14-22)25-27-19(3)34-28-25/h4-9,14,21H,10-13,15-16H2,1-3H3
InChIKeyJMKPFDHTMBUXGO-UHFFFAOYSA-N
XLogP3.36
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746626
(4S)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746625
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746622
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 113190158
(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92746806
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one (CID 46321714) is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one is Cc1nc(-c2cccc(N3CC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3=O)c2)no1.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The InChIKey is JMKPFDHTMBUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17-6-4-9-23(18(17)2)29-10-12-30(13-11-29)26(33)21-15-24(32)31(16-21)22-8-5-7-20(14-22)25-27-19(3)34-28-25/h4-9,14,21H,10-13,15-16H2,1-3H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one has a molecular weight of 459.55 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 46321714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).