(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C19H30N4O4 — CID 11886372

IUPAC(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@H]12
InChIInChI=1S/C19H30N4O4/c24-17-16-13-22(19(26)21-8-10-27-11-9-21)6-7-23(16)18(25)15(20-17)12-14-4-2-1-3-5-14/h14-16H,1-13H2,(H,20,24)/t15-,16+/m0/s1
InChIKeyLQNHOBCBTRBBOW-JKSUJKDBSA-N
MW378.47 g/mol
LogP0.42
Rot. Bonds2

About (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 11886372) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID11886372
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@H]12
InChIInChI=1S/C19H30N4O4/c24-17-16-13-22(19(26)21-8-10-27-11-9-21)6-7-23(16)18(25)15(20-17)12-14-4-2-1-3-5-14/h14-16H,1-13H2,(H,20,24)/t15-,16+/m0/s1
InChIKeyLQNHOBCBTRBBOW-JKSUJKDBSA-N
XLogP0.42
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-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-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 11886372) is (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)C[C@H]12.
What is the InChIKey of (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is LQNHOBCBTRBBOW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H30N4O4/c24-17-16-13-22(19(26)21-8-10-27-11-9-21)6-7-23(16)18(25)15(20-17)12-14-4-2-1-3-5-14/h14-16H,1-13H2,(H,20,24)/t15-,16+/m0/s1.
What are the key properties of (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 378.47 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 11886372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).