1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

C20H34N4O4S — CID 131952328

IUPAC1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H34N4O4S/c25-19-15-17(16-24(19)18-7-2-3-8-18)20(26)21-9-6-12-23(14-13-21)29(27,28)22-10-4-1-5-11-22/h17-18H,1-16H2
InChIKeyHZTSAQRPKVBJHQ-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.04
Rot. Bonds4

About 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 131952328) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID131952328
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H34N4O4S/c25-19-15-17(16-24(19)18-7-2-3-8-18)20(26)21-9-6-12-23(14-13-21)29(27,28)22-10-4-1-5-11-22/h17-18H,1-16H2
InChIKeyHZTSAQRPKVBJHQ-UHFFFAOYSA-N
XLogP1.04
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(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-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110346153
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (CID 131952328) is 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HZTSAQRPKVBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c25-19-15-17(16-24(19)18-7-2-3-8-18)20(26)21-9-6-12-23(14-13-21)29(27,28)22-10-4-1-5-11-22/h17-18H,1-16H2.
What are the key properties of 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 426.58 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 131952328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).