1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H23N3O3 — CID 6460167

IUPAC1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-3-5-15(23-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyFSHAUEUMDBITQL-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.82
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6460167) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID6460167
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-3-5-15(23-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyFSHAUEUMDBITQL-UHFFFAOYSA-N
XLogP0.82
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 6460167) is 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is FSHAUEUMDBITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-3-5-15(23-2)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6460167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).