cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

C17H24N2O — CID 898213

IUPACcyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H24N2O/c1-13-6-7-14(2)16(12-13)18-8-10-19(11-9-18)17(20)15-4-3-5-15/h6-7,12,15H,3-5,8-11H2,1-2H3
InChIKeyJKPKYLXIPLAEDZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.75
Rot. Bonds2

About cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 898213) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID898213
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Namecyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H24N2O/c1-13-6-7-14(2)16(12-13)18-8-10-19(11-9-18)17(20)15-4-3-5-15/h6-7,12,15H,3-5,8-11H2,1-2H3
InChIKeyJKPKYLXIPLAEDZ-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (CID 898213) is cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is JKPKYLXIPLAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-7-14(2)16(12-13)18-8-10-19(11-9-18)17(20)15-4-3-5-15/h6-7,12,15H,3-5,8-11H2,1-2H3.
What are the key properties of cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 898213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).