2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide

C24H25F5N4O2 — CID 88921000

IUPAC2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide
SMILESNC(=O)c1cc(F)c(C2CCC(=NOC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1F
InChIInChI=1S/C24H25F5N4O2/c25-20-12-19(23(30)34)21(26)11-18(20)14-1-4-16(5-2-14)32-35-17-7-9-33(10-8-17)22-6-3-15(13-31-22)24(27,28)29/h3,6,11-14,17H,1-2,4-5,7-10H2,(H2,30,34)/b32-16-
InChIKeyCPZDVALQHJVVRD-ZMGVVAQMSA-N
MW496.48 g/mol
LogP5.18
Rot. Bonds5

About 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide

2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide (PubChem CID 88921000) has the molecular formula C24H25F5N4O2 and a molecular weight of 496.48 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide
PubChem CID88921000
Molecular FormulaC24H25F5N4O2
Molecular Weight496.48 g/mol
Exact Mass496.19
IUPAC Name2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide
SMILESNC(=O)c1cc(F)c(C2CCC(=NOC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1F
InChIInChI=1S/C24H25F5N4O2/c25-20-12-19(23(30)34)21(26)11-18(20)14-1-4-16(5-2-14)32-35-17-7-9-33(10-8-17)22-6-3-15(13-31-22)24(27,28)29/h3,6,11-14,17H,1-2,4-5,7-10H2,(H2,30,34)/b32-16-
InChIKeyCPZDVALQHJVVRD-ZMGVVAQMSA-N
XLogP5.18
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 88920953
N-decyl-2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 159594595
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The IUPAC name of 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide (CID 88921000) is 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide.
What is the SMILES notation for 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The canonical SMILES for 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide is NC(=O)c1cc(F)c(C2CCC(=NOC3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The InChIKey is CPZDVALQHJVVRD-ZMGVVAQMSA-N. The full InChI is InChI=1S/C24H25F5N4O2/c25-20-12-19(23(30)34)21(26)11-18(20)14-1-4-16(5-2-14)32-35-17-7-9-33(10-8-17)22-6-3-15(13-31-22)24(27,28)29/h3,6,11-14,17H,1-2,4-5,7-10H2,(H2,30,34)/b32-16-.
What are the key properties of 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide?
2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide has a molecular weight of 496.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide is sourced from PubChem (CID 88921000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).