1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C23H27N3O5S — CID 42997864

IUPAC1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-20-7-9-21(10-8-20)32(29,30)26-13-11-24(12-14-26)23(28)19-15-22(27)25(17-19)16-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3
InChIKeyHIPIFHGPSAYSRP-UHFFFAOYSA-N
MW457.55 g/mol
LogP1.58
Rot. Bonds6

About 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42997864) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID42997864
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-20-7-9-21(10-8-20)32(29,30)26-13-11-24(12-14-26)23(28)19-15-22(27)25(17-19)16-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3
InChIKeyHIPIFHGPSAYSRP-UHFFFAOYSA-N
XLogP1.58
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236
1-benzyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42906906
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
4-[4-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22110183
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 42997864) is 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HIPIFHGPSAYSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-20-7-9-21(10-8-20)32(29,30)26-13-11-24(12-14-26)23(28)19-15-22(27)25(17-19)16-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3.
What are the key properties of 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 457.55 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42997864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).