(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C16H22N4O4 — CID 95136455

IUPAC(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1OC
InChIInChI=1S/C16H22N4O4/c1-23-13-4-3-11(9-14(13)24-2)18-16(22)20-8-7-19-6-5-17-15(21)12(19)10-20/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyVDXRIYDGIWDONI-GFCCVEGCSA-N
MW334.38 g/mol
LogP0.35
Rot. Bonds3

About (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 95136455) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID95136455
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1OC
InChIInChI=1S/C16H22N4O4/c1-23-13-4-3-11(9-14(13)24-2)18-16(22)20-8-7-19-6-5-17-15(21)12(19)10-20/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyVDXRIYDGIWDONI-GFCCVEGCSA-N
XLogP0.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide 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

(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
methyl 2-[(2R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561434
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3,4-dimethoxyphenyl)-2-oxo-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepine-7-carboxamide
CID 171141547
(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95143432
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
(9aS)-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438869
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474

Frequently Asked Questions

What is the IUPAC name of (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 95136455) is (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1OC.
What is the InChIKey of (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VDXRIYDGIWDONI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-23-13-4-3-11(9-14(13)24-2)18-16(22)20-8-7-19-6-5-17-15(21)12(19)10-20/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1.
What are the key properties of (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95136455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).