8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C17H34N4O — CID 50955756

IUPAC8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CCN2CCN(C(=O)NC(C)(C)CC(C)(C)C)CC2C1
InChIInChI=1S/C17H34N4O/c1-16(2,3)13-17(4,5)18-15(22)21-10-9-20-8-7-19(6)11-14(20)12-21/h14H,7-13H2,1-6H3,(H,18,22)
InChIKeyURBIXIHKJSYMRC-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds2

About 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 50955756) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID50955756
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCN1CCN2CCN(C(=O)NC(C)(C)CC(C)(C)C)CC2C1
InChIInChI=1S/C17H34N4O/c1-16(2,3)13-17(4,5)18-15(22)21-10-9-20-8-7-19(6)11-14(20)12-21/h14H,7-13H2,1-6H3,(H,18,22)
InChIKeyURBIXIHKJSYMRC-UHFFFAOYSA-N
XLogP1.84
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 97070731
(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 124873320
1,4a,6-Trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
CID 22972812
1,3,4a-Trimethyl-4,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
CID 22972813
4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 68165120
4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide
CID 68165538
1,1-dimethyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 69932974
N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 71096317
4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide
CID 118688715
2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 121450235
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide
CID 123846165
1-[4-[(4-Ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-propan-2-ylurea
CID 134434519

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 50955756) is 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CN1CCN2CCN(C(=O)NC(C)(C)CC(C)(C)C)CC2C1.
What is the InChIKey of 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is URBIXIHKJSYMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-16(2,3)13-17(4,5)18-15(22)21-10-9-20-8-7-19(6)11-14(20)12-21/h14H,7-13H2,1-6H3,(H,18,22).
What are the key properties of 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50955756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).