N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide

C18H23N3O5 — CID 56755611

IUPACN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cc1OC
InChIInChI=1S/C18H23N3O5/c1-20-10-17(23)21-9-12(8-13(21)18(20)24)19-16(22)7-11-4-5-14(25-2)15(6-11)26-3/h4-6,12-13H,7-10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyZUJUSQOJHYXZJP-OLZOCXBDSA-N
MW361.40 g/mol
LogP-0.20
Rot. Bonds5

About N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide

N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 56755611) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID56755611
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cc1OC
InChIInChI=1S/C18H23N3O5/c1-20-10-17(23)21-9-12(8-13(21)18(20)24)19-16(22)7-11-4-5-14(25-2)15(6-11)26-3/h4-6,12-13H,7-10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyZUJUSQOJHYXZJP-OLZOCXBDSA-N
XLogP-0.20
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide 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

2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-1-(4-methylphenyl)methanesulfonamide
CID 131914293
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681

Frequently Asked Questions

What is the IUPAC name of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide (CID 56755611) is N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cc1OC.
What is the InChIKey of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZUJUSQOJHYXZJP-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-20-10-17(23)21-9-12(8-13(21)18(20)24)19-16(22)7-11-4-5-14(25-2)15(6-11)26-3/h4-6,12-13H,7-10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 361.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 56755611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).