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

C15H22N4O4 — CID 7156157

IUPAC(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(=O)N1CCC(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)CC1
InChIInChI=1S/C15H22N4O4/c1-10(20)17-4-2-11(3-5-17)15(23)18-6-7-19-12(9-18)14(22)16-8-13(19)21/h11-12H,2-9H2,1H3,(H,16,22)/t12-/m1/s1
InChIKeyHKDWOHDXERAESM-GFCCVEGCSA-N
MW322.37 g/mol
LogP-1.59
Rot. Bonds1

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

(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 7156157) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID7156157
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(=O)N1CCC(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)CC1
InChIInChI=1S/C15H22N4O4/c1-10(20)17-4-2-11(3-5-17)15(23)18-6-7-19-12(9-18)14(22)16-8-13(19)21/h11-12H,2-9H2,1H3,(H,16,22)/t12-/m1/s1
InChIKeyHKDWOHDXERAESM-GFCCVEGCSA-N
XLogP-1.59
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 7156157) is (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CC(=O)N1CCC(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)CC1.
What is the InChIKey of (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is HKDWOHDXERAESM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-10(20)17-4-2-11(3-5-17)15(23)18-6-7-19-12(9-18)14(22)16-8-13(19)21/h11-12H,2-9H2,1H3,(H,16,22)/t12-/m1/s1.
What are the key properties of (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 322.37 g/mol, XLogP of -1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 7156157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).