4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one

C13H24N2O — CID 115273063

IUPAC4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
SMILESCC1CNCCN1C(=O)CCCC1CCC1
InChIInChI=1S/C13H24N2O/c1-11-10-14-8-9-15(11)13(16)7-3-6-12-4-2-5-12/h11-12,14H,2-10H2,1H3
InChIKeyJFXLIWKTLBFVDB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds4

About 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one

4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one (PubChem CID 115273063) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
PubChem CID115273063
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
SMILESCC1CNCCN1C(=O)CCCC1CCC1
InChIInChI=1S/C13H24N2O/c1-11-10-14-8-9-15(11)13(16)7-3-6-12-4-2-5-12/h11-12,14H,2-10H2,1H3
InChIKeyJFXLIWKTLBFVDB-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472160
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
1-(2-methylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 119469976
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one (CID 115273063) is 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one is CC1CNCCN1C(=O)CCCC1CCC1.
What is the InChIKey of 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one?
The InChIKey is JFXLIWKTLBFVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-10-14-8-9-15(11)13(16)7-3-6-12-4-2-5-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one?
4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 115273063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).