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

C17H23N3O2 — CID 119402342

IUPAC1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCC(C(=O)N3CCNCC3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-15(17(20)22)16(21)19-7-4-18-5-8-19/h9-11,15,18H,3-8H2,1-2H3
InChIKeyVBPHMRYYSVBBQN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.09
Rot. Bonds2

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

1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 119402342) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID119402342
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCC(C(=O)N3CCNCC3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-15(17(20)22)16(21)19-7-4-18-5-8-19/h9-11,15,18H,3-8H2,1-2H3
InChIKeyVBPHMRYYSVBBQN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46062529
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 174964651
1-(3,5-dimethylphenyl)-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166193469
1-(3-bromophenyl)-3-(1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 119415517
1-(3,5-dimethylphenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one
CID 91643063
1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119552795
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one (CID 119402342) is 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one is Cc1cc(C)cc(N2CCC(C(=O)N3CCNCC3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VBPHMRYYSVBBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-15(17(20)22)16(21)19-7-4-18-5-8-19/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-3-(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)-3-(piperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 119402342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).