(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C20H26N4O4 — CID 102166787

IUPAC(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@@H]1NC(=O)[C@H]2CN(C(C(=O)N3CCOCC3)c3ccccc3)CCN2C1=O
InChIInChI=1S/C20H26N4O4/c1-14-19(26)24-8-7-23(13-16(24)18(25)21-14)17(15-5-3-2-4-6-15)20(27)22-9-11-28-12-10-22/h2-6,14,16-17H,7-13H2,1H3,(H,21,25)/t14-,16+,17?/m0/s1
InChIKeyAZXIPIUFNOQELM-NOYLFRNESA-N
MW386.45 g/mol
LogP-0.38
Rot. Bonds3

About (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 102166787) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID102166787
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@@H]1NC(=O)[C@H]2CN(C(C(=O)N3CCOCC3)c3ccccc3)CCN2C1=O
InChIInChI=1S/C20H26N4O4/c1-14-19(26)24-8-7-23(13-16(24)18(25)21-14)17(15-5-3-2-4-6-15)20(27)22-9-11-28-12-10-22/h2-6,14,16-17H,7-13H2,1H3,(H,21,25)/t14-,16+,17?/m0/s1
InChIKeyAZXIPIUFNOQELM-NOYLFRNESA-N
XLogP-0.38
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 102166787) is (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is C[C@@H]1NC(=O)[C@H]2CN(C(C(=O)N3CCOCC3)c3ccccc3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is AZXIPIUFNOQELM-NOYLFRNESA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-19(26)24-8-7-23(13-16(24)18(25)21-14)17(15-5-3-2-4-6-15)20(27)22-9-11-28-12-10-22/h2-6,14,16-17H,7-13H2,1H3,(H,21,25)/t14-,16+,17?/m0/s1.
What are the key properties of (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 386.45 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 102166787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).