4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide

C24H29F2N5O2 — CID 88921019

IUPAC4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide
SMILESCCc1cnc(N2CCC(ON=C3CCC(c4ccc(C(N)=O)c(F)c4F)CC3)CC2)nc1
InChIInChI=1S/C24H29F2N5O2/c1-2-15-13-28-24(29-14-15)31-11-9-18(10-12-31)33-30-17-5-3-16(4-6-17)19-7-8-20(23(27)32)22(26)21(19)25/h7-8,13-14,16,18H,2-6,9-12H2,1H3,(H2,27,32)/b30-17-
InChIKeyFYSKSUBSPUCJTJ-LQNQUEJISA-N
MW457.53 g/mol
LogP4.12
Rot. Bonds6

About 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide

4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide (PubChem CID 88921019) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide.

Molecular Properties

Compound Name4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide
PubChem CID88921019
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide
SMILESCCc1cnc(N2CCC(ON=C3CCC(c4ccc(C(N)=O)c(F)c4F)CC3)CC2)nc1
InChIInChI=1S/C24H29F2N5O2/c1-2-15-13-28-24(29-14-15)31-11-9-18(10-12-31)33-30-17-5-3-16(4-6-17)19-7-8-20(23(27)32)22(26)21(19)25/h7-8,13-14,16,18H,2-6,9-12H2,1H3,(H2,27,32)/b30-17-
InChIKeyFYSKSUBSPUCJTJ-LQNQUEJISA-N
XLogP4.12
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide
CID 88921057
1-(4-bromo-2,5-difluorophenyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypiperidin-4-imine
CID 86655029
2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide
CID 88921000
3-methoxy-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 88921005
2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 88920953
4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]cyclohexyl]-3-fluoro-N,N-dimethylbenzamide
CID 66556464
N-decyl-2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 159594595
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
1-[4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2H-pyrimidin-1-yl]-3-propylurea
CID 88921045
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
1-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]ethanone
CID 147226565

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide?
The IUPAC name of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide (CID 88921019) is 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide.
What is the SMILES notation for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide?
The canonical SMILES for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide is CCc1cnc(N2CCC(ON=C3CCC(c4ccc(C(N)=O)c(F)c4F)CC3)CC2)nc1.
What is the InChIKey of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide?
The InChIKey is FYSKSUBSPUCJTJ-LQNQUEJISA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-2-15-13-28-24(29-14-15)31-11-9-18(10-12-31)33-30-17-5-3-16(4-6-17)19-7-8-20(23(27)32)22(26)21(19)25/h7-8,13-14,16,18H,2-6,9-12H2,1H3,(H2,27,32)/b30-17-.
What are the key properties of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide?
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide has a molecular weight of 457.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide is sourced from PubChem (CID 88921019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).