(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone

C23H25ClFN3O2 — CID 162800332

IUPAC(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)c3ccc(Cl)cc3)CCN21
InChIInChI=1S/C23H25ClFN3O2/c1-23(2)15-27(22(30)19-5-3-4-6-20(19)25)14-18-13-26(11-12-28(18)23)21(29)16-7-9-17(24)10-8-16/h3-10,18H,11-15H2,1-2H3
InChIKeyWVDRLODHXUPXKV-UHFFFAOYSA-N
MW429.92 g/mol
LogP3.54
Rot. Bonds2

About (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone

(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone (PubChem CID 162800332) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone
PubChem CID162800332
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)c3ccc(Cl)cc3)CCN21
InChIInChI=1S/C23H25ClFN3O2/c1-23(2)15-27(22(30)19-5-3-4-6-20(19)25)14-18-13-26(11-12-28(18)23)21(29)16-7-9-17(24)10-8-16/h3-10,18H,11-15H2,1-2H3
InChIKeyWVDRLODHXUPXKV-UHFFFAOYSA-N
XLogP3.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone 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
[(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
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-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carboxamide
CID 162800428
N-benzyl-8-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 162800380
[8-(2-methoxybenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
CID 162800417
(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
CID 162980604
[4,4-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
CID 162953535
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
1-[(4S,9aR)-2-(4-chlorobenzoyl)-4-(hydroxymethyl)-4-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-2-methoxyethanone
CID 125418288
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone (CID 162800332) is (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone is CC1(C)CN(C(=O)c2ccccc2F)CC2CN(C(=O)c3ccc(Cl)cc3)CCN21.
What is the InChIKey of (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone?
The InChIKey is WVDRLODHXUPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-23(2)15-27(22(30)19-5-3-4-6-20(19)25)14-18-13-26(11-12-28(18)23)21(29)16-7-9-17(24)10-8-16/h3-10,18H,11-15H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone?
(4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone has a molecular weight of 429.92 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]methanone is sourced from PubChem (CID 162800332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).