N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide

C19H25FN4O3 — CID 154579773

IUPACN-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide
SMILESCC(C)CN1CC(=O)N2CCCN(C(=O)Nc3ccccc3F)CC2C1=O
InChIInChI=1S/C19H25FN4O3/c1-13(2)10-23-12-17(25)24-9-5-8-22(11-16(24)18(23)26)19(27)21-15-7-4-3-6-14(15)20/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,21,27)
InChIKeyGAJAYGRNPXHXOE-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.76
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide

N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide (PubChem CID 154579773) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide
PubChem CID154579773
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC NameN-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide
SMILESCC(C)CN1CC(=O)N2CCCN(C(=O)Nc3ccccc3F)CC2C1=O
InChIInChI=1S/C19H25FN4O3/c1-13(2)10-23-12-17(25)24-9-5-8-22(11-16(24)18(23)26)19(27)21-15-7-4-3-6-14(15)20/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,21,27)
InChIKeyGAJAYGRNPXHXOE-UHFFFAOYSA-N
XLogP1.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide
CID 154579807
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119598315
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-propan-2-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56663080
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide (CID 154579773) is N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide is CC(C)CN1CC(=O)N2CCCN(C(=O)Nc3ccccc3F)CC2C1=O.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide?
The InChIKey is GAJAYGRNPXHXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-13(2)10-23-12-17(25)24-9-5-8-22(11-16(24)18(23)26)19(27)21-15-7-4-3-6-14(15)20/h3-4,6-7,13,16H,5,8-12H2,1-2H3,(H,21,27).
What are the key properties of N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide?
N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-methylpropyl)-1,4-dioxo-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-9-carboxamide is sourced from PubChem (CID 154579773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).