3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

C17H23N3O3 — CID 91925833

IUPAC3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C3CCN(C)C3=O)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-18-8-7-15(17(18)22)19-9-11-20(12-10-19)16(21)13-3-5-14(23-2)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyYUWJRTZKEFWNGB-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.68
Rot. Bonds3

About 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one

3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 91925833) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID91925833
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C3CCN(C)C3=O)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-18-8-7-15(17(18)22)19-9-11-20(12-10-19)16(21)13-3-5-14(23-2)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyYUWJRTZKEFWNGB-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925713
(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
CID 764819
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 136537706
3-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 87054800
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
1-(2-methoxyethyl)-3-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 91654001
(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119899
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one (CID 91925833) is 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is COc1ccc(C(=O)N2CCN(C3CCN(C)C3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is YUWJRTZKEFWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-8-7-15(17(18)22)19-9-11-20(12-10-19)16(21)13-3-5-14(23-2)6-4-13/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91925833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).