(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C17H20Cl2N4O3 — CID 56856620

IUPAC(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccc(Cl)cc3Cl)CCN2C1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-9(2)14-16(25)23-6-5-22(8-13(23)15(24)21-14)17(26)20-12-4-3-10(18)7-11(12)19/h3-4,7,9,13-14H,5-6,8H2,1-2H3,(H,20,26)(H,21,24)/t13-,14-/m1/s1
InChIKeyGCHDQHCDDNQTCC-ZIAGYGMSSA-N
MW399.28 g/mol
LogP2.19
Rot. Bonds2

About (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 56856620) has the molecular formula C17H20Cl2N4O3 and a molecular weight of 399.28 g/mol. Its IUPAC name is (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID56856620
Molecular FormulaC17H20Cl2N4O3
Molecular Weight399.28 g/mol
Exact Mass398.09
IUPAC Name(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccc(Cl)cc3Cl)CCN2C1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-9(2)14-16(25)23-6-5-22(8-13(23)15(24)21-14)17(26)20-12-4-3-10(18)7-11(12)19/h3-4,7,9,13-14H,5-6,8H2,1-2H3,(H,20,26)(H,21,24)/t13-,14-/m1/s1
InChIKeyGCHDQHCDDNQTCC-ZIAGYGMSSA-N
XLogP2.19
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-[(3R,7S,8aS)-3-[(1S)-1-hydroxyethyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-(2,4-dichlorophenyl)urea
CID 56857656
(7R,9aR)-2-(4-methylbenzoyl)-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56853815
(7R,9aR)-2-(3-methylbenzoyl)-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126460899
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(4-methylphenyl) (7S,9aR)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 56860100
benzyl (7R,9aR)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 126460691
(7S,9aR)-7-[(2S)-butan-2-yl]-N-(3-fluorophenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 56852916
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-[(3S,7S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-chlorobenzamide
CID 56855758
N-(2,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-2-ylethyl)piperazine-1-carboxamide
CID 4606874
N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40653589

Frequently Asked Questions

What is the IUPAC name of (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 56856620) is (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccc(Cl)cc3Cl)CCN2C1=O.
What is the InChIKey of (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GCHDQHCDDNQTCC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3/c1-9(2)14-16(25)23-6-5-22(8-13(23)15(24)21-14)17(26)20-12-4-3-10(18)7-11(12)19/h3-4,7,9,13-14H,5-6,8H2,1-2H3,(H,20,26)(H,21,24)/t13-,14-/m1/s1.
What are the key properties of (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 399.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aR)-N-(2,4-dichlorophenyl)-6,9-dioxo-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56856620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).