1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one

C15H28N2O — CID 110708879

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-13(4-2)15(18)17-11-9-16(10-12-17)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyIMOCIDWILYKBPZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one

1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one (PubChem CID 110708879) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
PubChem CID110708879
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-13(4-2)15(18)17-11-9-16(10-12-17)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyIMOCIDWILYKBPZ-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
CID 120992943
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one (CID 110708879) is 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one?
The InChIKey is IMOCIDWILYKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-13(4-2)15(18)17-11-9-16(10-12-17)14-7-5-6-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one?
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 110708879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).