(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C18H24N2O4 — CID 50982668

IUPAC(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccccc1CCCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O
InChIInChI=1S/C18H24N2O4/c1-24-16-7-3-2-5-13(16)6-4-9-19-12-17(22)20-10-8-14(21)11-15(20)18(19)23/h2-3,5,7,14-15,21H,4,6,8-12H2,1H3/t14-,15+/m1/s1
InChIKeyGQDQTCORJGQABS-CABCVRRESA-N
MW332.40 g/mol
LogP0.82
Rot. Bonds5

About (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 50982668) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID50982668
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccccc1CCCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O
InChIInChI=1S/C18H24N2O4/c1-24-16-7-3-2-5-13(16)6-4-9-19-12-17(22)20-10-8-14(21)11-15(20)18(19)23/h2-3,5,7,14-15,21H,4,6,8-12H2,1H3/t14-,15+/m1/s1
InChIKeyGQDQTCORJGQABS-CABCVRRESA-N
XLogP0.82
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-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

(8R,9aS)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-8-hydroxy-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 50978515
2-[(2-methoxyphenyl)methyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 3828179
(8R,9aS)-8-hydroxy-2-(1H-indol-2-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 50982758
1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
2-[(2-chloro-6-methoxyphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103293543
2-[4-[4-(2-methoxyphenyl)butylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 72711492
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457

Frequently Asked Questions

What is the IUPAC name of (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 50982668) is (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is COc1ccccc1CCCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O.
What is the InChIKey of (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is GQDQTCORJGQABS-CABCVRRESA-N. The full InChI is InChI=1S/C18H24N2O4/c1-24-16-7-3-2-5-13(16)6-4-9-19-12-17(22)20-10-8-14(21)11-15(20)18(19)23/h2-3,5,7,14-15,21H,4,6,8-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
(8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 332.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9aS)-8-hydroxy-2-[3-(2-methoxyphenyl)propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 50982668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).