cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C13H25N3O — CID 113073602

IUPACcyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H25N3O/c1-14(2)6-7-15-8-10-16(11-9-15)13(17)12-4-3-5-12/h12H,3-11H2,1-2H3
InChIKeyCEHQDQMOQZBANJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.49
Rot. Bonds4

About cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 113073602) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID113073602
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Namecyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H25N3O/c1-14(2)6-7-15-8-10-16(11-9-15)13(17)12-4-3-5-12/h12H,3-11H2,1-2H3
InChIKeyCEHQDQMOQZBANJ-UHFFFAOYSA-N
XLogP0.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
CID 24719226
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 79207709
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 113073602) is cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is CEHQDQMOQZBANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14(2)6-7-15-8-10-16(11-9-15)13(17)12-4-3-5-12/h12H,3-11H2,1-2H3.
What are the key properties of cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 239.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113073602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).