cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane

C15H31NO2 — CID 164564342

IUPACcyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
SMILESCC.CC.COC1(C)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO2.2C2H6/c1-11(14-2)5-7-12(8-6-11)10(13)9-3-4-9;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyCJXAUMYRUVOZSW-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.48
Rot. Bonds2

About cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane

cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane (PubChem CID 164564342) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane.

Molecular Properties

Compound Namecyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
PubChem CID164564342
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namecyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
SMILESCC.CC.COC1(C)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO2.2C2H6/c1-11(14-2)5-7-12(8-6-11)10(13)9-3-4-9;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyCJXAUMYRUVOZSW-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane 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 cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane?
The IUPAC name of cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane (CID 164564342) is cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane.
What is the SMILES notation for cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane?
The canonical SMILES for cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane is CC.CC.COC1(C)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane?
The InChIKey is CJXAUMYRUVOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.2C2H6/c1-11(14-2)5-7-12(8-6-11)10(13)9-3-4-9;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane?
cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane has a molecular weight of 257.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane is sourced from PubChem (CID 164564342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).