2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

C13H24N2O2 — CID 110197843

IUPAC2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-7-4-11(5-8-15)12-3-6-14-9-12/h11-12,14H,2-10H2,1H3
InChIKeyQGJKEVDLYUEUSA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds4

About 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (PubChem CID 110197843) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
PubChem CID110197843
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-7-4-11(5-8-15)12-3-6-14-9-12/h11-12,14H,2-10H2,1H3
InChIKeyQGJKEVDLYUEUSA-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-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 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (CID 110197843) is 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is CCOCC(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is QGJKEVDLYUEUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-10-13(16)15-7-4-11(5-8-15)12-3-6-14-9-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110197843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).