cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone

C13H24N2O — CID 64978279

IUPACcyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCC2)C(CC)CN1
InChIInChI=1S/C13H24N2O/c1-3-11-9-15(12(4-2)8-14-11)13(16)10-6-5-7-10/h10-12,14H,3-9H2,1-2H3
InChIKeyHDBKMQLOOXYORC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone

cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 64978279) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID64978279
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Namecyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CCC2)C(CC)CN1
InChIInChI=1S/C13H24N2O/c1-3-11-9-15(12(4-2)8-14-11)13(16)10-6-5-7-10/h10-12,14H,3-9H2,1-2H3
InChIKeyHDBKMQLOOXYORC-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 83192198
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036
2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
CID 95774523
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
2,5-diethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 64978294
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
1-(2,5-diethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 64978358

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone (CID 64978279) is cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)C2CCC2)C(CC)CN1.
What is the InChIKey of cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is HDBKMQLOOXYORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-11-9-15(12(4-2)8-14-11)13(16)10-6-5-7-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone?
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64978279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).