N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide

C18H24N4O4 — CID 95125628

IUPACN-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)cc1
InChIInChI=1S/C18H24N4O4/c1-20-7-8-21-9-10-22(11-15(21)18(20)25)17(24)13-3-5-14(6-4-13)19-16(23)12-26-2/h3-6,15H,7-12H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRJFNVSJZJGCXLQ-HNNXBMFYSA-N
MW360.41 g/mol
LogP-0.13
Rot. Bonds4

About N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide

N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide (PubChem CID 95125628) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide
PubChem CID95125628
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)cc1
InChIInChI=1S/C18H24N4O4/c1-20-7-8-21-9-10-22(11-15(21)18(20)25)17(24)13-3-5-14(6-4-13)19-16(23)12-26-2/h3-6,15H,7-12H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRJFNVSJZJGCXLQ-HNNXBMFYSA-N
XLogP-0.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
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(9aR)-2-[1-(2-hydroxyethyl)benzimidazole-5-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
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4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
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(9aR)-8-methyl-2-[3-(1,2,4-triazol-4-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
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3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
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1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
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8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide (CID 95125628) is N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)cc1.
What is the InChIKey of N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide?
The InChIKey is RJFNVSJZJGCXLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-20-7-8-21-9-10-22(11-15(21)18(20)25)17(24)13-3-5-14(6-4-13)19-16(23)12-26-2/h3-6,15H,7-12H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide?
N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide has a molecular weight of 360.41 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 95125628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).