1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one

C15H29N3O — CID 95128221

IUPAC1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C15H29N3O/c1-13(2)5-4-6-15(19)18-10-9-17-8-7-16(3)11-14(17)12-18/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyZPPOREOKYFFXEZ-CQSZACIVSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds4

About 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one

1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one (PubChem CID 95128221) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one.

Molecular Properties

Compound Name1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one
PubChem CID95128221
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C15H29N3O/c1-13(2)5-4-6-15(19)18-10-9-17-8-7-16(3)11-14(17)12-18/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyZPPOREOKYFFXEZ-CQSZACIVSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
3-(1,3-dihydroisoindol-2-yl)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propan-1-one
CID 50976959
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
4-(1,3-dihydroisoindol-2-yl)-1-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]butan-1-one
CID 99974370
5-methyl-1-[(1S,5R)-8-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-3-yl]hexan-1-one
CID 167108570
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-oxopentanoic acid
CID 54875608
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
CID 115276540
N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide
CID 171807707
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-(methylamino)butan-1-one
CID 63151718
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946

Frequently Asked Questions

What is the IUPAC name of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one?
The IUPAC name of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one (CID 95128221) is 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one.
What is the SMILES notation for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one?
The canonical SMILES for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one is CC(C)CCCC(=O)N1CCN2CCN(C)C[C@@H]2C1.
What is the InChIKey of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one?
The InChIKey is ZPPOREOKYFFXEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)5-4-6-15(19)18-10-9-17-8-7-16(3)11-14(17)12-18/h13-14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one?
1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one is sourced from PubChem (CID 95128221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).