cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane

C12H24N2O — CID 176666855

IUPACcyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-11-5-7-12(8-6-11)10(13)9-3-2-4-9;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyRFMKHQPOIHQMIZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.59
Rot. Bonds1

About cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane

cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane (PubChem CID 176666855) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane.

Molecular Properties

Compound Namecyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
PubChem CID176666855
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-11-5-7-12(8-6-11)10(13)9-3-2-4-9;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyRFMKHQPOIHQMIZ-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[(1S,3S)-3-fluorocyclohexyl]-(4-methylpiperazin-1-yl)methanone
CID 129349020
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane?
The IUPAC name of cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane (CID 176666855) is cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane.
What is the SMILES notation for cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane?
The canonical SMILES for cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane is CC.CN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane?
The InChIKey is RFMKHQPOIHQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-11-5-7-12(8-6-11)10(13)9-3-2-4-9;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane?
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane has a molecular weight of 212.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane is sourced from PubChem (CID 176666855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).