1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one

C20H35N3O2 — CID 24719217

IUPAC1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-16(2)15-18(24)21-11-13-22(14-12-21)19(17-7-3-4-8-17)20(25)23-9-5-6-10-23/h16-17,19H,3-15H2,1-2H3
InChIKeyBLMXSQFGFPRUAF-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.36
Rot. Bonds5

About 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 24719217) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID24719217
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-16(2)15-18(24)21-11-13-22(14-12-21)19(17-7-3-4-8-17)20(25)23-9-5-6-10-23/h16-17,19H,3-15H2,1-2H3
InChIKeyBLMXSQFGFPRUAF-UHFFFAOYSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
CID 138667582
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 93208810
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208314
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 93208323
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93209571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one (CID 24719217) is 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is BLMXSQFGFPRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-16(2)15-18(24)21-11-13-22(14-12-21)19(17-7-3-4-8-17)20(25)23-9-5-6-10-23/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 349.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 24719217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).