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

C23H27F2N5O2 — CID 88921057

IUPAC2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide
SMILESCc1cnc(N2CCC(ON=C3CCC(c4cc(F)c(C(N)=O)cc4F)CC3)CC2)nc1
InChIInChI=1S/C23H27F2N5O2/c1-14-12-27-23(28-13-14)30-8-6-17(7-9-30)32-29-16-4-2-15(3-5-16)18-10-21(25)19(22(26)31)11-20(18)24/h10-13,15,17H,2-9H2,1H3,(H2,26,31)/b29-16-
InChIKeyUPSKAFIINFBJOX-MWLSYYOVSA-N
MW443.50 g/mol
LogP3.86
Rot. Bonds5

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

2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide (PubChem CID 88921057) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide
PubChem CID88921057
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide
SMILESCc1cnc(N2CCC(ON=C3CCC(c4cc(F)c(C(N)=O)cc4F)CC3)CC2)nc1
InChIInChI=1S/C23H27F2N5O2/c1-14-12-27-23(28-13-14)30-8-6-17(7-9-30)32-29-16-4-2-15(3-5-16)18-10-21(25)19(22(26)31)11-20(18)24/h10-13,15,17H,2-9H2,1H3,(H2,26,31)/b29-16-
InChIKeyUPSKAFIINFBJOX-MWLSYYOVSA-N
XLogP3.86
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.86
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-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyiminocyclohexyl]benzamide
CID 88921000
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2,3-difluorobenzamide
CID 88921019
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
N-decyl-2,5-difluoro-4-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxyiminocyclohexyl]aniline
CID 159594595
1-[4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]-2H-pyrimidin-1-yl]-3-propylurea
CID 88921045
1-(4-bromo-2,5-difluorophenyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypiperidin-4-imine
CID 86655029
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 90323012
5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
CID 167560910
ethyl 2-(cyclopropyliminomethyl)-3-[2,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-oxopropanoate
CID 54361474
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The IUPAC name of 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide (CID 88921057) is 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide.
What is the SMILES notation for 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The canonical SMILES for 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide is Cc1cnc(N2CCC(ON=C3CCC(c4cc(F)c(C(N)=O)cc4F)CC3)CC2)nc1.
What is the InChIKey of 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide?
The InChIKey is UPSKAFIINFBJOX-MWLSYYOVSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-14-12-27-23(28-13-14)30-8-6-17(7-9-30)32-29-16-4-2-15(3-5-16)18-10-21(25)19(22(26)31)11-20(18)24/h10-13,15,17H,2-9H2,1H3,(H2,26,31)/b29-16-.
What are the key properties of 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide?
2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxyiminocyclohexyl]benzamide is sourced from PubChem (CID 88921057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).