3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C16H22N2O3 — CID 71937240

IUPAC3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C16H22N2O3/c1-2-21-12-6-4-8-18(10-12)16(20)13-9-11-5-3-7-14(11)17-15(13)19/h9,12H,2-8,10H2,1H3,(H,17,19)
InChIKeyXCJRRLJFESKTAN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds3

About 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 71937240) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID71937240
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C16H22N2O3/c1-2-21-12-6-4-8-18(10-12)16(20)13-9-11-5-3-7-14(11)17-15(13)19/h9,12H,2-8,10H2,1H3,(H,17,19)
InChIKeyXCJRRLJFESKTAN-UHFFFAOYSA-N
XLogP1.50
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 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 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 71937240) is 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1.
What is the InChIKey of 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is XCJRRLJFESKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-12-6-4-8-18(10-12)16(20)13-9-11-5-3-7-14(11)17-15(13)19/h9,12H,2-8,10H2,1H3,(H,17,19).
What are the key properties of 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 71937240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).