2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C23H31N3O4 — CID 73134623

IUPAC2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(OCc1ccccc1)C1NC(=O)C2CN(C(=O)C3CCCCC3)CCN2C1=O
InChIInChI=1S/C23H31N3O4/c1-16(30-15-17-8-4-2-5-9-17)20-23(29)26-13-12-25(14-19(26)21(27)24-20)22(28)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-20H,3,6-7,10-15H2,1H3,(H,24,27)
InChIKeySFBVCGNGEABGES-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.71
Rot. Bonds5

About 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 73134623) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID73134623
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(OCc1ccccc1)C1NC(=O)C2CN(C(=O)C3CCCCC3)CCN2C1=O
InChIInChI=1S/C23H31N3O4/c1-16(30-15-17-8-4-2-5-9-17)20-23(29)26-13-12-25(14-19(26)21(27)24-20)22(28)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-20H,3,6-7,10-15H2,1H3,(H,24,27)
InChIKeySFBVCGNGEABGES-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-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

(7S,9aR)-2-(2,5-difluorobenzoyl)-7-[(1R)-1-phenylmethoxyethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860681
benzyl (7R,9aR)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 126460691
7-benzyl-2-(cyclohexanecarbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 73135129
benzyl (7S,9aR)-7-benzyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 56856547
benzyl (7S,9aR)-6,9-dioxo-7-(phenylmethoxymethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 56858955
(7R,9aS)-7-benzyl-6,9-dioxo-N-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7156119
2-(2-aminopropanoyl)-7-benzyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 78455039
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678502
benzyl N-[(3S,7S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]carbamate
CID 56858009
(3S,6S,9R,12S,15S)-6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylmethoxyethyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
CID 86739976
7-(cyclopentanecarbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 74509233

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 73134623) is 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CC(OCc1ccccc1)C1NC(=O)C2CN(C(=O)C3CCCCC3)CCN2C1=O.
What is the InChIKey of 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is SFBVCGNGEABGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16(30-15-17-8-4-2-5-9-17)20-23(29)26-13-12-25(14-19(26)21(27)24-20)22(28)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-20H,3,6-7,10-15H2,1H3,(H,24,27).
What are the key properties of 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 413.52 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-7-(1-phenylmethoxyethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 73134623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).