(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C14H28N4O — CID 124873320

IUPAC(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1
InChIInChI=1S/C14H28N4O/c1-11(2)15-13(19)17-6-7-18-12(9-17)8-16(5)10-14(18,3)4/h11-12H,6-10H2,1-5H3,(H,15,19)/t12-/m1/s1
InChIKeyARSZFELVOXQWDT-GFCCVEGCSA-N
MW268.40 g/mol
LogP0.81
Rot. Bonds1

About (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 124873320) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID124873320
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1
InChIInChI=1S/C14H28N4O/c1-11(2)15-13(19)17-6-7-18-12(9-17)8-16(5)10-14(18,3)4/h11-12H,6-10H2,1-5H3,(H,15,19)/t12-/m1/s1
InChIKeyARSZFELVOXQWDT-GFCCVEGCSA-N
XLogP0.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
1-[3-(4-Methylpiperazin-1-yl)propyl]tetrahydropyrimidin-2(1H)-one
CID 44374065
Hexahydro-1H-pyrazino[1,2-c]pyrimidin-6(2H)-one
CID 11040917
2-Methyloctahydro-6H-pyrazino[1,2-c]pyrimidin-6-one
CID 15152398
8-methyl-N-(1,1,3,3-tetramethylbutyl)octahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 50955756
6H-Pyrazino[1,2-c]pyrimidin-6-one, 7-ethyloctahydro-
CID 10856159
N-methyl-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 16795792
7-methyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 20377617
7-methyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one;hydrobromide
CID 20377618
Piperazin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43585190
N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 57632451
4-methyl-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 58960929

Frequently Asked Questions

What is the IUPAC name of (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 124873320) is (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CC(C)NC(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1.
What is the InChIKey of (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ARSZFELVOXQWDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)15-13(19)17-6-7-18-12(9-17)8-16(5)10-14(18,3)4/h11-12H,6-10H2,1-5H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124873320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).