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

C15H19F3N4O2 — CID 110872664

IUPAC2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCn1cnc2c1CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)CC2
InChIInChI=1S/C15H19F3N4O2/c1-20-9-19-11-4-7-22(8-12(11)20)13(23)10-2-5-21(6-3-10)14(24)15(16,17)18/h9-10H,2-8H2,1H3
InChIKeyBJMRXLFIAJDTQY-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.11
Rot. Bonds1

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

2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110872664) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
PubChem CID110872664
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCn1cnc2c1CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)CC2
InChIInChI=1S/C15H19F3N4O2/c1-20-9-19-11-4-7-22(8-12(11)20)13(23)10-2-5-21(6-3-10)14(24)15(16,17)18/h9-10H,2-8H2,1H3
InChIKeyBJMRXLFIAJDTQY-UHFFFAOYSA-N
XLogP1.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 53609869
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118738892
2-(3-ethyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-morpholino-1-ethanone
CID 53194876
tert-butyl 1-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69223386
tert-butyl 1-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 138671815
tert-butyl 3-(2,2-difluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 138671816
1-Methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
CID 64857209
5-[2-(Trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
CID 64858131
2,2,2-trifluoro-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 84470682
2,2,2-Trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
2,2,2-trifluoro-1-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 110872663

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone (CID 110872664) is 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is Cn1cnc2c1CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)CC2.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is BJMRXLFIAJDTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-20-9-19-11-4-7-22(8-12(11)20)13(23)10-2-5-21(6-3-10)14(24)15(16,17)18/h9-10H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 344.34 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110872664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).