1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one

C18H24N2O2 — CID 6461557

IUPAC1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1C
InChIInChI=1S/C18H24N2O2/c1-13-6-7-16(10-14(13)2)20-12-15(11-17(20)21)18(22)19-8-4-3-5-9-19/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyARCTVSLKOAAPCT-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.67
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6461557) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6461557
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1C
InChIInChI=1S/C18H24N2O2/c1-13-6-7-16(10-14(13)2)20-12-15(11-17(20)21)18(22)19-8-4-3-5-9-19/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyARCTVSLKOAAPCT-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
4-(azepane-1-carbonyl)-1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
CID 113188098
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
3-[1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 99878226
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
1-(3,4-dimethylphenyl)-4-[4-(6-methoxypyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 16883409
1-(3,4-dimethylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082382
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one (CID 6461557) is 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ARCTVSLKOAAPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-7-16(10-14(13)2)20-12-15(11-17(20)21)18(22)19-8-4-3-5-9-19/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6461557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).