(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C18H20F3N3O3 — CID 56858902

IUPAC(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O
InChIInChI=1S/C18H20F3N3O3/c1-2-3-13-17(27)24-9-8-23(10-14(24)15(25)22-13)16(26)11-4-6-12(7-5-11)18(19,20)21/h4-7,13-14H,2-3,8-10H2,1H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyJASYOUBMDSZNPC-UONOGXRCSA-N
MW383.37 g/mol
LogP1.66
Rot. Bonds3

About (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56858902) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56858902
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O
InChIInChI=1S/C18H20F3N3O3/c1-2-3-13-17(27)24-9-8-23(10-14(24)15(25)22-13)16(26)11-4-6-12(7-5-11)18(19,20)21/h4-7,13-14H,2-3,8-10H2,1H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyJASYOUBMDSZNPC-UONOGXRCSA-N
XLogP1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
(4-Cyclobutylpiperazin-1-yl)-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methanone
CID 59218190
4-(4-Methylbenzoyl)piperazine-2,6-dione
CID 576804
Benzamide, N-(1-acetyl-4-piperidinyl)-4-fluoro-
CID 9816738
N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzamide
CID 155567513
N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 2097244
3-[1-(3-Fluoro-benzoyl)-piperidin-4-ylamino]-pyrrolidine-2,5-dione
CID 2997104
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4785645
4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 4795919
N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide
CID 6460372
4-tert-butyl-N-[(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzamide
CID 7966559

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56858902) is (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is JASYOUBMDSZNPC-UONOGXRCSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-2-3-13-17(27)24-9-8-23(10-14(24)15(25)22-13)16(26)11-4-6-12(7-5-11)18(19,20)21/h4-7,13-14H,2-3,8-10H2,1H3,(H,22,25)/t13-,14+/m0/s1.
What are the key properties of (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 383.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-propyl-2-[4-(trifluoromethyl)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56858902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).