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

C22H33N7O2 — CID 163294074

IUPAC7-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
SMILESCN(C(=O)N1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1)C1CCNCC1
InChIInChI=1S/C22H33N7O2/c1-27(15-6-8-25-9-7-15)22(31)28-10-11-29-16(14-28)13-26-21(24)19(29)12-18(23)17-4-2-3-5-20(17)30/h2-5,12,15-16,25-26,30H,6-11,13-14,23-24H2,1H3/b18-12-
InChIKeyVZUCLJCSOYTJSF-PDGQHHTCSA-N
MW427.55 g/mol
LogP0.21
Rot. Bonds3

About 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

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 (PubChem CID 163294074) has the molecular formula C22H33N7O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID163294074
Molecular FormulaC22H33N7O2
Molecular Weight427.55 g/mol
Exact Mass427.27
IUPAC Name7-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
SMILESCN(C(=O)N1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1)C1CCNCC1
InChIInChI=1S/C22H33N7O2/c1-27(15-6-8-25-9-7-15)22(31)28-10-11-29-16(14-28)13-26-21(24)19(29)12-18(23)17-4-2-3-5-20(17)30/h2-5,12,15-16,25-26,30H,6-11,13-14,23-24H2,1H3/b18-12-
InChIKeyVZUCLJCSOYTJSF-PDGQHHTCSA-N
XLogP0.21
TPSA123.12 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 50.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[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
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
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-[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;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
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 154754645
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
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
1-[3-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-bromo-1H-pyrrol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one;methanol
CID 177023263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)N1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1)C1CCNCC1.
What is the InChIKey of 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?
The InChIKey is VZUCLJCSOYTJSF-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H33N7O2/c1-27(15-6-8-25-9-7-15)22(31)28-10-11-29-16(14-28)13-26-21(24)19(29)12-18(23)17-4-2-3-5-20(17)30/h2-5,12,15-16,25-26,30H,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]-N-methyl-N-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
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 has a molecular weight of 427.55 g/mol, XLogP of 0.21, 3 rotatable bonds, 5 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]-N-methyl-N-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 163294074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).