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

C23H33FN4O2 — CID 162800428

IUPACN-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide
SMILESCC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)NC3CCCCC3)CCN21
InChIInChI=1S/C23H33FN4O2/c1-23(2)16-27(21(29)19-10-6-7-11-20(19)24)15-18-14-26(12-13-28(18)23)22(30)25-17-8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,25,30)
InChIKeyFODZOHHADHNQEI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.09
Rot. Bonds2

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

N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide (PubChem CID 162800428) has the molecular formula C23H33FN4O2 and a molecular weight of 416.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide
PubChem CID162800428
Molecular FormulaC23H33FN4O2
Molecular Weight416.54 g/mol
Exact Mass416.26
IUPAC NameN-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide
SMILESCC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)NC3CCCCC3)CCN21
InChIInChI=1S/C23H33FN4O2/c1-23(2)16-27(21(29)19-10-6-7-11-20(19)24)15-18-14-26(12-13-28(18)23)22(30)25-17-8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,25,30)
InChIKeyFODZOHHADHNQEI-UHFFFAOYSA-N
XLogP3.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(9aS)-8-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
CID 124877093
(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone
CID 162800332
1-[(9aS)-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-2-phenylethanone
CID 124875265
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
CID 162800417
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
[(9aS)-2-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-(4-fluorophenyl)methanone
CID 124876358

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide (CID 162800428) is N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide is CC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)NC3CCCCC3)CCN21.
What is the InChIKey of N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide?
The InChIKey is FODZOHHADHNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O2/c1-23(2)16-27(21(29)19-10-6-7-11-20(19)24)15-18-14-26(12-13-28(18)23)22(30)25-17-8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,25,30).
What are the key properties of N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide?
N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 162800428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).