3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C15H20N2O3 — CID 60525794

IUPAC3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCCOc1cc(C2NC(=O)C3CCCCN32)ccc1O
InChIInChI=1S/C15H20N2O3/c1-2-20-13-9-10(6-7-12(13)18)14-16-15(19)11-5-3-4-8-17(11)14/h6-7,9,11,14,18H,2-5,8H2,1H3,(H,16,19)
InChIKeyABEKJFFPIDPCSR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds3

About 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525794) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525794
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCCOc1cc(C2NC(=O)C3CCCCN32)ccc1O
InChIInChI=1S/C15H20N2O3/c1-2-20-13-9-10(6-7-12(13)18)14-16-15(19)11-5-3-4-8-17(11)14/h6-7,9,11,14,18H,2-5,8H2,1H3,(H,16,19)
InChIKeyABEKJFFPIDPCSR-UHFFFAOYSA-N
XLogP1.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
methyl 6-(azepan-1-ylmethyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51366272
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
cycloheptyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1238586
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525654
(4R)-4-(3-ethoxy-4-hydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187777
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525794) is 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is CCOc1cc(C2NC(=O)C3CCCCN32)ccc1O.
What is the InChIKey of 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is ABEKJFFPIDPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-13-9-10(6-7-12(13)18)14-16-15(19)11-5-3-4-8-17(11)14/h6-7,9,11,14,18H,2-5,8H2,1H3,(H,16,19).
What are the key properties of 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 276.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-hydroxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).