1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one

C17H23N3O2 — CID 174964651

IUPAC1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC(C(=O)N3CCNCC3)CC2=O)c1
InChIInChI=1S/C17H23N3O2/c1-12-7-13(2)9-15(8-12)20-11-14(10-16(20)21)17(22)19-5-3-18-4-6-19/h7-9,14,18H,3-6,10-11H2,1-2H3
InChIKeyBGJPYRPJFWDSSM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.09
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one

1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 174964651) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID174964651
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC(C(=O)N3CCNCC3)CC2=O)c1
InChIInChI=1S/C17H23N3O2/c1-12-7-13(2)9-15(8-12)20-11-14(10-16(20)21)17(22)19-5-3-18-4-6-19/h7-9,14,18H,3-6,10-11H2,1-2H3
InChIKeyBGJPYRPJFWDSSM-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50874050
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrate;hydrochloride
CID 21128885
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
ethyl (3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075693
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one (CID 174964651) is 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one is Cc1cc(C)cc(N2CC(C(=O)N3CCNCC3)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BGJPYRPJFWDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-7-13(2)9-15(8-12)20-11-14(10-16(20)21)17(22)19-5-3-18-4-6-19/h7-9,14,18H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 174964651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).