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

C21H23F3N4O3 — CID 90540191

IUPAC1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(c4nnc(C(F)(F)F)o4)C3)CC2=O)cc1C
InChIInChI=1S/C21H23F3N4O3/c1-12-5-6-16(8-13(12)2)28-11-15(9-17(28)29)19(30)27-7-3-4-14(10-27)18-25-26-20(31-18)21(22,23)24/h5-6,8,14-15H,3-4,7,9-11H2,1-2H3
InChIKeyQKUIKGVCJHUQJG-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.46
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90540191) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90540191
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(c4nnc(C(F)(F)F)o4)C3)CC2=O)cc1C
InChIInChI=1S/C21H23F3N4O3/c1-12-5-6-16(8-13(12)2)28-11-15(9-17(28)29)19(30)27-7-3-4-14(10-27)18-25-26-20(31-18)21(22,23)24/h5-6,8,14-15H,3-4,7,9-11H2,1-2H3
InChIKeyQKUIKGVCJHUQJG-UHFFFAOYSA-N
XLogP3.46
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 121069439
4-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121069034
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 71792968
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
5-[1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541259
5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90540044
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90641553
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540208
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 90540191) is 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCC(c4nnc(C(F)(F)F)o4)C3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QKUIKGVCJHUQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-12-5-6-16(8-13(12)2)28-11-15(9-17(28)29)19(30)27-7-3-4-14(10-27)18-25-26-20(31-18)21(22,23)24/h5-6,8,14-15H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 436.43 g/mol, XLogP of 3.46, 3 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-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90540191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).