ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C20H32N2O3 — CID 143450004

IUPACethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC.CC.CC1CN2C(=O)CNC(=O)C2CC1(C)c1cccc(O)c1
InChIInChI=1S/C16H20N2O3.2C2H6/c1-10-9-18-13(15(21)17-8-14(18)20)7-16(10,2)11-4-3-5-12(19)6-11;2*1-2/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,21);2*1-2H3
InChIKeyAAVXJZQPWPVDAY-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.07
Rot. Bonds1

About ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 143450004) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Nameethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID143450004
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nameethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC.CC.CC1CN2C(=O)CNC(=O)C2CC1(C)c1cccc(O)c1
InChIInChI=1S/C16H20N2O3.2C2H6/c1-10-9-18-13(15(21)17-8-14(18)20)7-16(10,2)11-4-3-5-12(19)6-11;2*1-2/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,21);2*1-2H3
InChIKeyAAVXJZQPWPVDAY-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione 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

3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol
CID 68878981
3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 154183313
3-[(7R,8R,9aR)-7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 154380891
3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 70790327
3-[(2R,4R,5R)-1-heptyl-4,5-dimethyl-2-propylpiperidin-4-yl]phenol
CID 11559278
(3S,7R,8R,9aR)-8-(3-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoyl]-7,8-dimethyl-3-propan-2-yl-1,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazin-4-one
CID 123778361
[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate
CID 174828234
3-[(8R)-8-(3-hydroxyphenyl)-7,8-dimethyl-3-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]propanoic acid
CID 70316229
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767
1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-1-one
CID 54301963
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518

Frequently Asked Questions

What is the IUPAC name of ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 143450004) is ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC.CC.CC1CN2C(=O)CNC(=O)C2CC1(C)c1cccc(O)c1.
What is the InChIKey of ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is AAVXJZQPWPVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.2C2H6/c1-10-9-18-13(15(21)17-8-14(18)20)7-16(10,2)11-4-3-5-12(19)6-11;2*1-2/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,21);2*1-2H3.
What are the key properties of ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 348.49 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 143450004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).