cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone

C16H26N4O — CID 52907393

IUPACcyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13-12-14(2)20(17-13)11-8-18-6-9-19(10-7-18)16(21)15-4-3-5-15/h12,15H,3-11H2,1-2H3
InChIKeyVSQLURUFILGACJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.44
Rot. Bonds4

About cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 52907393) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID52907393
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Namecyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13-12-14(2)20(17-13)11-8-18-6-9-19(10-7-18)16(21)15-4-3-5-15/h12,15H,3-11H2,1-2H3
InChIKeyVSQLURUFILGACJ-UHFFFAOYSA-N
XLogP1.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 52907393) is cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone is Cc1cc(C)n(CCN2CCN(C(=O)C3CCC3)CC2)n1.
What is the InChIKey of cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is VSQLURUFILGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-12-14(2)20(17-13)11-8-18-6-9-19(10-7-18)16(21)15-4-3-5-15/h12,15H,3-11H2,1-2H3.
What are the key properties of cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 52907393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).