4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide

C18H24N4O4 — CID 124750090

IUPAC4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide
SMILESCN1CC(=O)N2CCN(CCCOc3ccc(C(N)=O)cc3)C[C@@H]2C1=O
InChIInChI=1S/C18H24N4O4/c1-20-12-16(23)22-9-8-21(11-15(22)18(20)25)7-2-10-26-14-5-3-13(4-6-14)17(19)24/h3-6,15H,2,7-12H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyCCWYQMUOOZOANZ-OAHLLOKOSA-N
MW360.41 g/mol
LogP-0.46
Rot. Bonds6

About 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide

4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide (PubChem CID 124750090) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide
PubChem CID124750090
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide
SMILESCN1CC(=O)N2CCN(CCCOc3ccc(C(N)=O)cc3)C[C@@H]2C1=O
InChIInChI=1S/C18H24N4O4/c1-20-12-16(23)22-9-8-21(11-15(22)18(20)25)7-2-10-26-14-5-3-13(4-6-14)17(19)24/h3-6,15H,2,7-12H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyCCWYQMUOOZOANZ-OAHLLOKOSA-N
XLogP-0.46
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide 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

4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
(9aS)-2-[2-(4-fluorophenoxy)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 125166210
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[3-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]propoxy]benzamide
CID 70763038
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-[3-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]propoxy]benzamide
CID 72862427
4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide
CID 91837813
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
4-[3-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propoxy]benzamide
CID 99976509
1-[4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-(4-hydroxyphenyl)propan-1-one
CID 161420782
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide (CID 124750090) is 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide is CN1CC(=O)N2CCN(CCCOc3ccc(C(N)=O)cc3)C[C@@H]2C1=O.
What is the InChIKey of 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide?
The InChIKey is CCWYQMUOOZOANZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-20-12-16(23)22-9-8-21(11-15(22)18(20)25)7-2-10-26-14-5-3-13(4-6-14)17(19)24/h3-6,15H,2,7-12H2,1H3,(H2,19,24)/t15-/m1/s1.
What are the key properties of 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide?
4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide has a molecular weight of 360.41 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide is sourced from PubChem (CID 124750090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).