(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

C21H27N3O3 — CID 51565669

IUPAC(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C21H27N3O3/c25-19-14-17(15-24(19)18-8-4-5-9-18)21(27)23-12-10-22(11-13-23)20(26)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/t17-/m0/s1
InChIKeyXMQKRTHCPKIVIL-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.76
Rot. Bonds3

About (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (PubChem CID 51565669) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
PubChem CID51565669
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C21H27N3O3/c25-19-14-17(15-24(19)18-8-4-5-9-18)21(27)23-12-10-22(11-13-23)20(26)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/t17-/m0/s1
InChIKeyXMQKRTHCPKIVIL-KRWDZBQOSA-N
XLogP1.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46413405
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
(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
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (CID 51565669) is (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The InChIKey is XMQKRTHCPKIVIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19-14-17(15-24(19)18-8-4-5-9-18)21(27)23-12-10-22(11-13-23)20(26)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/t17-/m0/s1.
What are the key properties of (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 51565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).