(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

C21H29N3O4S — CID 9209266

IUPAC(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20-14-18(15-24(20)19-8-4-5-9-19)21(26)22-10-12-23(13-11-22)29(27,28)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2/t18-/m1/s1
InChIKeyLWQXCUIBHYVNEB-GOSISDBHSA-N
MW419.55 g/mol
LogP1.45
Rot. Bonds5

About (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (PubChem CID 9209266) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
PubChem CID9209266
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20-14-18(15-24(20)19-8-4-5-9-19)21(26)22-10-12-23(13-11-22)29(27,28)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2/t18-/m1/s1
InChIKeyLWQXCUIBHYVNEB-GOSISDBHSA-N
XLogP1.45
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 131952328
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110346153
(4-benzylsulfonylpiperazin-1-yl)-[(2R,6R)-2,6-dimethyloxan-4-yl]methanone
CID 97160690
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
2-[4-(1-benzylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55686496

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (CID 9209266) is (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The InChIKey is LWQXCUIBHYVNEB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O4S/c25-20-14-18(15-24(20)19-8-4-5-9-19)21(26)22-10-12-23(13-11-22)29(27,28)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2/t18-/m1/s1.
What are the key properties of (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one has a molecular weight of 419.55 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 9209266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).