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

C27H30N4O3 — CID 134477632

IUPAC1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)n2)c1
InChIInChI=1S/C27H30N4O3/c1-17-5-4-6-21(13-17)25-28-26(34-29-25)20-9-11-30(12-10-20)27(33)22-15-24(32)31(16-22)23-8-7-18(2)19(3)14-23/h4-8,13-14,20,22H,9-12,15-16H2,1-3H3
InChIKeyCHTVQDDVFKALMQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.42
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 134477632) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID134477632
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)n2)c1
InChIInChI=1S/C27H30N4O3/c1-17-5-4-6-21(13-17)25-28-26(34-29-25)20-9-11-30(12-10-20)27(33)22-15-24(32)31(16-22)23-8-7-18(2)19(3)14-23/h4-8,13-14,20,22H,9-12,15-16H2,1-3H3
InChIKeyCHTVQDDVFKALMQ-UHFFFAOYSA-N
XLogP4.42
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116486
[1-(3,4-dimethylphenyl)-5-hydroxypyrrolidin-3-yl]-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 155066576
(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116491
(4R)-1-(3-chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015145
(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92898912
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639
(4R)-4-[4-[3-(1,3-dimethyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 153382530
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746813
(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92746806
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 53003958
(4R)-1-(4-fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015858
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 134477632) is 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(-c2noc(C3CCN(C(=O)C4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)n2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CHTVQDDVFKALMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-17-5-4-6-21(13-17)25-28-26(34-29-25)20-9-11-30(12-10-20)27(33)22-15-24(32)31(16-22)23-8-7-18(2)19(3)14-23/h4-8,13-14,20,22H,9-12,15-16H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 134477632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).