[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone

C24H29N3O3 — CID 162800417

IUPAC[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
SMILESCOc1ccccc1C(=O)N1CCN2C(CN(C(=O)c3ccccc3)CC2(C)C)C1
InChIInChI=1S/C24H29N3O3/c1-24(2)17-26(22(28)18-9-5-4-6-10-18)16-19-15-25(13-14-27(19)24)23(29)20-11-7-8-12-21(20)30-3/h4-12,19H,13-17H2,1-3H3
InChIKeyBGFKQPAAYJCZIP-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.76
Rot. Bonds3

About [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone

[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone (PubChem CID 162800417) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
PubChem CID162800417
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
SMILESCOc1ccccc1C(=O)N1CCN2C(CN(C(=O)c3ccccc3)CC2(C)C)C1
InChIInChI=1S/C24H29N3O3/c1-24(2)17-26(22(28)18-9-5-4-6-10-18)16-19-15-25(13-14-27(19)24)23(29)20-11-7-8-12-21(20)30-3/h4-12,19H,13-17H2,1-3H3
InChIKeyBGFKQPAAYJCZIP-UHFFFAOYSA-N
XLogP2.76
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone 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

[(9aS)-8-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
CID 124877093
(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone
CID 162800332
[(9aS)-2-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-(4-fluorophenyl)methanone
CID 124876358
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
1-[(9aS)-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-2-phenylethanone
CID 124875265
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
N-benzyl-8-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 162800380
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088

Frequently Asked Questions

What is the IUPAC name of [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone?
The IUPAC name of [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone (CID 162800417) is [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone.
What is the SMILES notation for [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone?
The canonical SMILES for [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone is COc1ccccc1C(=O)N1CCN2C(CN(C(=O)c3ccccc3)CC2(C)C)C1.
What is the InChIKey of [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone?
The InChIKey is BGFKQPAAYJCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-24(2)17-26(22(28)18-9-5-4-6-10-18)16-19-15-25(13-14-27(19)24)23(29)20-11-7-8-12-21(20)30-3/h4-12,19H,13-17H2,1-3H3.
What are the key properties of [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone?
[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone has a molecular weight of 407.51 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone is sourced from PubChem (CID 162800417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).