[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C20H32N6O2 — CID 154816938

IUPAC[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC[C@H]1COC[C@H]2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)CCN12
InChIInChI=1S/C20H32N6O2/c1-3-4-16-14-28-15-17-13-25(9-10-26(16)17)19-12-21-11-18(22-19)20(27)24-7-5-23(2)6-8-24/h11-12,16-17H,3-10,13-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyLEXMCJLKPUAHAW-DLBZAZTESA-N
MW388.52 g/mol
LogP0.55
Rot. Bonds4

About [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 154816938) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID154816938
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC[C@H]1COC[C@H]2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)CCN12
InChIInChI=1S/C20H32N6O2/c1-3-4-16-14-28-15-17-13-25(9-10-26(16)17)19-12-21-11-18(22-19)20(27)24-7-5-23(2)6-8-24/h11-12,16-17H,3-10,13-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyLEXMCJLKPUAHAW-DLBZAZTESA-N
XLogP0.55
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 155919678
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134703969
(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 166623222
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 134714431
[6-[(6S)-4-butyl-6-hydroxy-1,4-diazepan-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 99994199
acetic acid;[6-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 171321646
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
4-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 155919043
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 134702252
1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 134702592

Frequently Asked Questions

What is the IUPAC name of [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 154816938) is [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CCC[C@H]1COC[C@H]2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)CCN12.
What is the InChIKey of [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LEXMCJLKPUAHAW-DLBZAZTESA-N. The full InChI is InChI=1S/C20H32N6O2/c1-3-4-16-14-28-15-17-13-25(9-10-26(16)17)19-12-21-11-18(22-19)20(27)24-7-5-23(2)6-8-24/h11-12,16-17H,3-10,13-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 154816938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).