1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one

C13H22N2O2 — CID 110873685

IUPAC1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)C2CCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)15-8-7-14(9-11(15)16)12(17)10-5-4-6-10/h10H,4-9H2,1-3H3
InChIKeyVUOSLXPVHAVTLI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds1

About 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one

1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one (PubChem CID 110873685) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one
PubChem CID110873685
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)C2CCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)15-8-7-14(9-11(15)16)12(17)10-5-4-6-10/h10H,4-9H2,1-3H3
InChIKeyVUOSLXPVHAVTLI-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,3R)-3-aminocyclohexanecarbonyl]-1-methylpiperazin-2-one
CID 124509944
1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
CID 110873668
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 64694555
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
CID 110873659
1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110873671
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
CID 130310982
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one (CID 110873685) is 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one is CC(C)(C)N1CCN(C(=O)C2CCC2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one?
The InChIKey is VUOSLXPVHAVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)15-8-7-14(9-11(15)16)12(17)10-5-4-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one?
1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(cyclobutanecarbonyl)piperazin-2-one is sourced from PubChem (CID 110873685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).