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

C13H20N4O3 — CID 7156161

IUPAC(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(C(=O)C3CCNCC3)C[C@H]12
InChIInChI=1S/C13H20N4O3/c18-11-7-15-12(19)10-8-16(5-6-17(10)11)13(20)9-1-3-14-4-2-9/h9-10,14H,1-8H2,(H,15,19)/t10-/m1/s1
InChIKeyDWTZATIBNNBWEQ-SNVBAGLBSA-N
MW280.33 g/mol
LogP-1.84
Rot. Bonds1

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

(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 7156161) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID7156161
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(C(=O)C3CCNCC3)C[C@H]12
InChIInChI=1S/C13H20N4O3/c18-11-7-15-12(19)10-8-16(5-6-17(10)11)13(20)9-1-3-14-4-2-9/h9-10,14H,1-8H2,(H,15,19)/t10-/m1/s1
InChIKeyDWTZATIBNNBWEQ-SNVBAGLBSA-N
XLogP-1.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2-methoxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 162923972
(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95128087
(9aR)-2-[2-(2-chlorophenyl)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 125176540
2-(3-phenyltriazole-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50964156
2-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50973625
9-(4-methylsulfanylphenyl)-3-(piperidine-4-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
CID 73138533
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
2-[4-(1,3-dihydroisoindol-2-yl)butanoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50951633
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride
CID 146675737
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 7156161) is (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1NCC(=O)N2CCN(C(=O)C3CCNCC3)C[C@H]12.
What is the InChIKey of (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is DWTZATIBNNBWEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-11-7-15-12(19)10-8-16(5-6-17(10)11)13(20)9-1-3-14-4-2-9/h9-10,14H,1-8H2,(H,15,19)/t10-/m1/s1.
What are the key properties of (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 280.33 g/mol, XLogP of -1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 7156161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).