1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone

C12H19NO — CID 88960363

IUPAC1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone
SMILESCC(=O)C1=CC(C2CCN(C)CC2)C1
InChIInChI=1S/C12H19NO/c1-9(14)11-7-12(8-11)10-3-5-13(2)6-4-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyFEUUZDJIOKDYCT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds2

About 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone

1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone (PubChem CID 88960363) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone
PubChem CID88960363
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone
SMILESCC(=O)C1=CC(C2CCN(C)CC2)C1
InChIInChI=1S/C12H19NO/c1-9(14)11-7-12(8-11)10-3-5-13(2)6-4-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyFEUUZDJIOKDYCT-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone (CID 88960363) is 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone is CC(=O)C1=CC(C2CCN(C)CC2)C1.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone?
The InChIKey is FEUUZDJIOKDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(14)11-7-12(8-11)10-3-5-13(2)6-4-10/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone?
1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone has a molecular weight of 193.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)cyclobuten-1-yl]ethanone is sourced from PubChem (CID 88960363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).