(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one

C22H25N3O4S — CID 27509800

IUPAC(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H25N3O4S/c26-21-15-19(17-24(21)16-18-7-3-1-4-8-18)22(27)23-11-13-25(14-12-23)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2/t19-/m1/s1
InChIKeyCXHOTZDXOWKVBL-LJQANCHMSA-N
MW427.53 g/mol
LogP1.57
Rot. Bonds5

About (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one

(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one (PubChem CID 27509800) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
PubChem CID27509800
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H25N3O4S/c26-21-15-19(17-24(21)16-18-7-3-1-4-8-18)22(27)23-11-13-25(14-12-23)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2/t19-/m1/s1
InChIKeyCXHOTZDXOWKVBL-LJQANCHMSA-N
XLogP1.57
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
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-propan-2-ylpyrrolidin-2-one
CID 110346217
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-[4-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22110183
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42653481
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one (CID 27509800) is (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one?
The InChIKey is CXHOTZDXOWKVBL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21-15-19(17-24(21)16-18-7-3-1-4-8-18)22(27)23-11-13-25(14-12-23)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2/t19-/m1/s1.
What are the key properties of (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one?
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one has a molecular weight of 427.53 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 27509800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).