1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

C21H25N3O4S — CID 46557463

IUPAC1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-28-19-5-2-4-18(16-19)22-12-14-23(15-13-22)29(26,27)20-9-7-17(8-10-20)24-11-3-6-21(24)25/h2,4-5,7-10,16H,3,6,11-15H2,1H3
InChIKeyWCMQPWRUMAIZNU-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.33
Rot. Bonds5

About 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one (PubChem CID 46557463) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
PubChem CID46557463
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-28-19-5-2-4-18(16-19)22-12-14-23(15-13-22)29(26,27)20-9-7-17(8-10-20)24-11-3-6-21(24)25/h2,4-5,7-10,16H,3,6,11-15H2,1H3
InChIKeyWCMQPWRUMAIZNU-UHFFFAOYSA-N
XLogP2.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
methyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110818526
N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168465
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4H-1,4-benzothiazin-3-one
CID 126458768
2-ethyl-7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176101

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one (CID 46557463) is 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one is COc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1.
What is the InChIKey of 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is WCMQPWRUMAIZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-28-19-5-2-4-18(16-19)22-12-14-23(15-13-22)29(26,27)20-9-7-17(8-10-20)24-11-3-6-21(24)25/h2,4-5,7-10,16H,3,6,11-15H2,1H3.
What are the key properties of 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 415.52 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 46557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).