2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone

C14H17F3N4O2 — CID 110712795

IUPAC2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)13(23)20-4-1-9(2-5-20)12(22)21-6-3-10-11(7-21)19-8-18-10/h8-9H,1-7H2,(H,18,19)
InChIKeyOTKDIWMNQKBYPQ-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.10
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110712795) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
PubChem CID110712795
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)13(23)20-4-1-9(2-5-20)12(22)21-6-3-10-11(7-21)19-8-18-10/h8-9H,1-7H2,(H,18,19)
InChIKeyOTKDIWMNQKBYPQ-UHFFFAOYSA-N
XLogP1.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 91628368
[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 100661710
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
2,2,4,4-tetramethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pentan-1-one
CID 143098139
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
1-(2-methylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 50983712
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981
[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169164765
N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57176280
[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 71201876
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (CID 110712795) is 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is OTKDIWMNQKBYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)13(23)20-4-1-9(2-5-20)12(22)21-6-3-10-11(7-21)19-8-18-10/h8-9H,1-7H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 330.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110712795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).