1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone

C12H17F3N2O2 — CID 108932472

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)10(18)9-3-1-2-4-9/h9H,1-8H2
InChIKeyHQNAWLWIJFEJAU-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.41
Rot. Bonds1

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 108932472) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID108932472
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)10(18)9-3-1-2-4-9/h9H,1-8H2
InChIKeyHQNAWLWIJFEJAU-UHFFFAOYSA-N
XLogP1.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796472
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
ethyl 4-[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 110344239
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 108932472) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCCC1)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is HQNAWLWIJFEJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-5-16(6-8-17)10(18)9-3-1-2-4-9/h9H,1-8H2.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 278.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 108932472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).