1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone

C11H20N2O — CID 116920123

IUPAC1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1CC(=O)C1CCC1
InChIInChI=1S/C11H20N2O/c1-13-6-5-12-8-10(13)7-11(14)9-3-2-4-9/h9-10,12H,2-8H2,1H3
InChIKeyHWHGWZPBSDGEDK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.65
Rot. Bonds3

About 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone

1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone (PubChem CID 116920123) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
PubChem CID116920123
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1CC(=O)C1CCC1
InChIInChI=1S/C11H20N2O/c1-13-6-5-12-8-10(13)7-11(14)9-3-2-4-9/h9-10,12H,2-8H2,1H3
InChIKeyHWHGWZPBSDGEDK-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 115414611
1-cyclopentyl-N-[(1-methylpiperazin-2-yl)methyl]methanamine
CID 115238393
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
CID 83817784
2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178445
1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
CID 116920117

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone (CID 116920123) is 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone is CN1CCNCC1CC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone?
The InChIKey is HWHGWZPBSDGEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13-6-5-12-8-10(13)7-11(14)9-3-2-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone?
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone is sourced from PubChem (CID 116920123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).