2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone

C15H28N2O — CID 113448723

IUPAC2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
SMILESCC(C)(C)N1CCN(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-10-8-16(9-11-17)12-14(18)13-6-4-5-7-13/h13H,4-12H2,1-3H3
InChIKeyQYAJIJIZIGQCLA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone

2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone (PubChem CID 113448723) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
PubChem CID113448723
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
SMILESCC(C)(C)N1CCN(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-10-8-16(9-11-17)12-14(18)13-6-4-5-7-13/h13H,4-12H2,1-3H3
InChIKeyQYAJIJIZIGQCLA-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 113448813
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanone
CID 63914774
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
CID 146676030
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 63913213
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864
1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405281
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 118531626
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone (CID 113448723) is 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone is CC(C)(C)N1CCN(CC(=O)C2CCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone?
The InChIKey is QYAJIJIZIGQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)17-10-8-16(9-11-17)12-14(18)13-6-4-5-7-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone?
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone has a molecular weight of 252.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone is sourced from PubChem (CID 113448723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).