1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane

C13H25NO2 — CID 157038041

IUPAC1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1CCCC(OCC2CC2)C1
InChIInChI=1S/C11H19NO2.C2H6/c1-9(13)12-6-2-3-11(7-12)14-8-10-4-5-10;1-2/h10-11H,2-8H2,1H3;1-2H3
InChIKeyXDVPTKBIDAELRA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds3

About 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane

1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane (PubChem CID 157038041) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
PubChem CID157038041
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1CCCC(OCC2CC2)C1
InChIInChI=1S/C11H19NO2.C2H6/c1-9(13)12-6-2-3-11(7-12)14-8-10-4-5-10;1-2/h10-11H,2-8H2,1H3;1-2H3
InChIKeyXDVPTKBIDAELRA-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;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 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane (CID 157038041) is 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane is CC.CC(=O)N1CCCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane?
The InChIKey is XDVPTKBIDAELRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C2H6/c1-9(13)12-6-2-3-11(7-12)14-8-10-4-5-10;1-2/h10-11H,2-8H2,1H3;1-2H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane?
1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane has a molecular weight of 227.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane is sourced from PubChem (CID 157038041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).