4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one

C18H25N3O2 — CID 120571726

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-12-4-6-16(7-5-12)21-11-15(10-17(21)22)18(23)20-9-8-19-13(2)14(20)3/h4-7,13-15,19H,8-11H2,1-3H3
InChIKeyGBSQDELWALTRKY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.56
Rot. Bonds2

About 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one

4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 120571726) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID120571726
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-12-4-6-16(7-5-12)21-11-15(10-17(21)22)18(23)20-9-8-19-13(2)14(20)3/h4-7,13-15,19H,8-11H2,1-3H3
InChIKeyGBSQDELWALTRKY-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120570055
1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120571907
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119638509
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 120571726) is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCNC(C)C3C)CC2=O)cc1.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is GBSQDELWALTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-4-6-16(7-5-12)21-11-15(10-17(21)22)18(23)20-9-8-19-13(2)14(20)3/h4-7,13-15,19H,8-11H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 120571726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).