3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one

C15H21F3N4O — CID 126821017

IUPAC3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C15H21F3N4O/c1-2-10-14(23)19-6-8-21(10)9-11-13(15(16,17)18)20-12-5-3-4-7-22(11)12/h10H,2-9H2,1H3,(H,19,23)
InChIKeyXHILLVCXRWYKJB-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.95
Rot. Bonds3

About 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one

3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one (PubChem CID 126821017) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one
PubChem CID126821017
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C15H21F3N4O/c1-2-10-14(23)19-6-8-21(10)9-11-13(15(16,17)18)20-12-5-3-4-7-22(11)12/h10H,2-9H2,1H3,(H,19,23)
InChIKeyXHILLVCXRWYKJB-UHFFFAOYSA-N
XLogP1.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-propylimidazole-4-carboxamide
CID 53181518
N-Isopropyl-2,5-dimethyl-1-(1-methyl-4-piperidinyl)-1H-imidazole-4-carboxamide
CID 53181520
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181557
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 53181560
4-[2,5-dimethyl-4-(2-piperidin-1-ylethylcarbamoyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide
CID 53181734
4-[2,5-dimethyl-4-(piperidine-1-carbonyl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide
CID 53181740
Imidazo[1,5-a]pyrazine-1-carboxamide,n-ethyl-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
CID 68011884
Imidazo[1,5-a]pyrazine-1-carboxamide,5,6,7,8-tetrahydro-n-methyl-3-(trifluoromethyl)-
CID 68011887
Imidazo[1,5-a]pyrazine-1-carboxamide,5,6,7,8-tetrahydro-3-(trifluoromethyl)-
CID 68011891
Imidazo[1,5-a]pyrazine-1-carboxamide,5,6,7,8-tetrahydro-n,n-dimethyl-3-(trifluoromethyl)-
CID 68011897
N-(2-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 68011900
Acetamide,n-methyl-n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76848928

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one (CID 126821017) is 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one is CCC1C(=O)NCCN1Cc1c(C(F)(F)F)nc2n1CCCC2.
What is the InChIKey of 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one?
The InChIKey is XHILLVCXRWYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-2-10-14(23)19-6-8-21(10)9-11-13(15(16,17)18)20-12-5-3-4-7-22(11)12/h10H,2-9H2,1H3,(H,19,23).
What are the key properties of 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one?
3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one has a molecular weight of 330.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 126821017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).