1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

C19H22F3N3O2 — CID 136523359

IUPAC1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCN2CCCC2C1
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)14-9-13(10-16(11-14)25-6-2-4-17(25)26)18(27)24-8-7-23-5-1-3-15(23)12-24/h9-11,15H,1-8,12H2
InChIKeyWXYDJHWFIVCYAS-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 136523359) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID136523359
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCN2CCCC2C1
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)14-9-13(10-16(11-14)25-6-2-4-17(25)26)18(27)24-8-7-23-5-1-3-15(23)12-24/h9-11,15H,1-8,12H2
InChIKeyWXYDJHWFIVCYAS-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one 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-[3-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 86958202
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 119561222
(2R)-4-[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]morpholine-2-carboxylic acid
CID 129468770
3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46850987
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107032360
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-amino-4-fluorophenyl)methanone
CID 61107906
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119383232
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 58305493
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 136523359) is 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCN2CCCC2C1.
What is the InChIKey of 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is WXYDJHWFIVCYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c20-19(21,22)14-9-13(10-16(11-14)25-6-2-4-17(25)26)18(27)24-8-7-23-5-1-3-15(23)12-24/h9-11,15H,1-8,12H2.
What are the key properties of 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 381.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 136523359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).