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

C17H24N2O3 — CID 71936605

IUPAC3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCCCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C17H24N2O3/c1-2-9-22-13-6-4-8-19(11-13)17(21)14-10-12-5-3-7-15(12)18-16(14)20/h10,13H,2-9,11H2,1H3,(H,18,20)
InChIKeyCEPPZTUDMYLCHI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds4

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

3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 71936605) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID71936605
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCCCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C17H24N2O3/c1-2-9-22-13-6-4-8-19(11-13)17(21)14-10-12-5-3-7-15(12)18-16(14)20/h10,13H,2-9,11H2,1H3,(H,18,20)
InChIKeyCEPPZTUDMYLCHI-UHFFFAOYSA-N
XLogP1.89
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-propoxypiperidine-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-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 71936605) is 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CCCOC1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1.
What is the InChIKey of 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is CEPPZTUDMYLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-9-22-13-6-4-8-19(11-13)17(21)14-10-12-5-3-7-15(12)18-16(14)20/h10,13H,2-9,11H2,1H3,(H,18,20).
What are the key properties of 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypiperidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 71936605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).