3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

C19H25N3O4 — CID 71955583

IUPAC3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CCC(C(=O)N2CCN(C(C)=O)CC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13-4-5-17(26-3)16(12-13)22-7-6-15(19(22)25)18(24)21-10-8-20(9-11-21)14(2)23/h4-5,12,15H,6-11H2,1-3H3
InChIKeyPSPIKLWXADDRGQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.05
Rot. Bonds3

About 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (PubChem CID 71955583) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
PubChem CID71955583
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CCC(C(=O)N2CCN(C(C)=O)CC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13-4-5-17(26-3)16(12-13)22-7-6-15(19(22)25)18(24)21-10-8-20(9-11-21)14(2)23/h4-5,12,15H,6-11H2,1-3H3
InChIKeyPSPIKLWXADDRGQ-UHFFFAOYSA-N
XLogP1.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 92990959
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 46163898
1-(2-methoxy-5-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
CID 42863369
3-(4-acetylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 42853506
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
1-(2-methoxy-5-methylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56533694
4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716365
1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46062529
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 17191849
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (CID 71955583) is 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is COc1ccc(C)cc1N1CCC(C(=O)N2CCN(C(C)=O)CC2)C1=O.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is PSPIKLWXADDRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-4-5-17(26-3)16(12-13)22-7-6-15(19(22)25)18(24)21-10-8-20(9-11-21)14(2)23/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 71955583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).