4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one

C11H18N2O2 — CID 53017578

IUPAC4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CCC1
InChIInChI=1S/C11H18N2O2/c1-11(2)10(15)12-6-7-13(11)9(14)8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyQAGOWCVFBNHOFI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.52
Rot. Bonds1

About 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one

4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 53017578) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID53017578
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CCC1
InChIInChI=1S/C11H18N2O2/c1-11(2)10(15)12-6-7-13(11)9(14)8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyQAGOWCVFBNHOFI-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one (CID 53017578) is 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1CCC1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is QAGOWCVFBNHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2)10(15)12-6-7-13(11)9(14)8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one?
4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 53017578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).