(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C23H36N4O — CID 124877794

IUPAC(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21
InChIInChI=1S/C23H36N4O/c1-23(2)18-26(22(28)24-15-19-9-5-3-6-10-19)17-21-16-25(13-14-27(21)23)20-11-7-4-8-12-20/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyUYSWKXZQYLXNJN-NRFANRHFSA-N
MW384.57 g/mol
LogP3.31
Rot. Bonds3

About (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 124877794) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID124877794
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21
InChIInChI=1S/C23H36N4O/c1-23(2)18-26(22(28)24-15-19-9-5-3-6-10-19)17-21-16-25(13-14-27(21)23)20-11-7-4-8-12-20/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyUYSWKXZQYLXNJN-NRFANRHFSA-N
XLogP3.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-benzyl-8-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 162800380
(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
CID 162980604
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
(8aR)-N-benzyl-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75537021
[(4S,9aR)-2-benzyl-8-cyclohexyl-4-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-yl]methanol
CID 124877955
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
CID 124876193
N-benzylazonane-1-carboxamide
CID 130689649
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519

Frequently Asked Questions

What is the IUPAC name of (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 124877794) is (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21.
What is the InChIKey of (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UYSWKXZQYLXNJN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H36N4O/c1-23(2)18-26(22(28)24-15-19-9-5-3-6-10-19)17-21-16-25(13-14-27(21)23)20-11-7-4-8-12-20/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3,(H,24,28)/t21-/m0/s1.
What are the key properties of (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124877794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).