[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone

C22H32N6O2 — CID 163294489

IUPAC[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCN3C(/C=C(\N)c4ccccc4O)=C(N)NCC3C2)CC1
InChIInChI=1S/C22H32N6O2/c1-26-8-6-15(7-9-26)22(30)27-10-11-28-16(14-27)13-25-21(24)19(28)12-18(23)17-4-2-3-5-20(17)29/h2-5,12,15-16,25,29H,6-11,13-14,23-24H2,1H3/b18-12-
InChIKeyJPUCASMYEBBBKT-PDGQHHTCSA-N
MW412.54 g/mol
LogP0.28
Rot. Bonds3

About [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone

[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 163294489) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID163294489
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCN3C(/C=C(\N)c4ccccc4O)=C(N)NCC3C2)CC1
InChIInChI=1S/C22H32N6O2/c1-26-8-6-15(7-9-26)22(30)27-10-11-28-16(14-27)13-25-21(24)19(28)12-18(23)17-4-2-3-5-20(17)29/h2-5,12,15-16,25,29H,6-11,13-14,23-24H2,1H3/b18-12-
InChIKeyJPUCASMYEBBBKT-PDGQHHTCSA-N
XLogP0.28
TPSA111.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone with MolForge

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Related Compounds

2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
CID 166888826
7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-N-methyl-N-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163294074
2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
CID 163294371
tert-butyl 4-[3-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]azetidin-1-yl]piperidine-1-carboxylate
CID 167063481
tert-butyl 2-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 163294327
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;2-(2,6-dioxopiperidin-3-yl)-5-(3-fluoropiperidin-1-yl)isoindole-1,3-dione;3-methyl-3-azabicyclo[3.1.0]hexane
CID 163294086
2-[5-[4-[[4-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 163294083
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163294395
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;2-[6-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)morpholin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 163294631
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 142266464

Frequently Asked Questions

What is the IUPAC name of [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone (CID 163294489) is [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCN3C(/C=C(\N)c4ccccc4O)=C(N)NCC3C2)CC1.
What is the InChIKey of [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is JPUCASMYEBBBKT-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-26-8-6-15(7-9-26)22(30)27-10-11-28-16(14-27)13-25-21(24)19(28)12-18(23)17-4-2-3-5-20(17)29/h2-5,12,15-16,25,29H,6-11,13-14,23-24H2,1H3/b18-12-.
What are the key properties of [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone?
[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 412.54 g/mol, XLogP of 0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 163294489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).