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

C19H30N4O4 — CID 73134614

IUPAC7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)CC12
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)
InChIKeyLQNHOBCBTRBBOW-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.42
Rot. Bonds2

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

7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 73134614) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID73134614
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)CC12
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)
InChIKeyLQNHOBCBTRBBOW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 73134614) is 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 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)N3CCOCC3)CC12.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is LQNHOBCBTRBBOW-UHFFFAOYSA-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).
What are the key properties of 7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
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 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 73134614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).