4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide

C26H32F2N4O2 — CID 118254769

IUPAC4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2(F)CCN(c3cncc(Oc4ccc(F)cc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C26H32F2N4O2/c1-25(8-13-31-11-6-19(25)7-12-31)30-24(33)26(28)9-14-32(15-10-26)21-16-23(18-29-17-21)34-22-4-2-20(27)3-5-22/h2-5,16-19H,6-15H2,1H3,(H,30,33)
InChIKeyVMZGJLUVJMSGSN-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.31
Rot. Bonds5

About 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide

4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide (PubChem CID 118254769) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
PubChem CID118254769
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC Name4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2(F)CCN(c3cncc(Oc4ccc(F)cc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C26H32F2N4O2/c1-25(8-13-31-11-6-19(25)7-12-31)30-24(33)26(28)9-14-32(15-10-26)21-16-23(18-29-17-21)34-22-4-2-20(27)3-5-22/h2-5,16-19H,6-15H2,1H3,(H,30,33)
InChIKeyVMZGJLUVJMSGSN-UHFFFAOYSA-N
XLogP4.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
CID 118254683
N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
CID 118254774
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
CID 18383816
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639
4-fluoro-1-[4-[4-(3-methoxypropoxy)phenyl]pyrimidin-2-yl]-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254898
1-[4-[4-(2-fluoroethoxy)phenyl]pyrimidin-2-yl]-4-methoxy-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254840
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144555272
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237631
4-[(5-chloro-3-pyridinyl)oxy]-N-[1-[2-(4-fluoroanilino)ethylcarbamoyl]cyclohexyl]benzamide
CID 142012751
4-[5-fluoro-4-[4-(methoxymethyl)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-3-propan-2-ylpiperazine-1-carboxamide
CID 118254925

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide (CID 118254769) is 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide is CC1(NC(=O)C2(F)CCN(c3cncc(Oc4ccc(F)cc4)c3)CC2)CCN2CCC1CC2.
What is the InChIKey of 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The InChIKey is VMZGJLUVJMSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-25(8-13-31-11-6-19(25)7-12-31)30-24(33)26(28)9-14-32(15-10-26)21-16-23(18-29-17-21)34-22-4-2-20(27)3-5-22/h2-5,16-19H,6-15H2,1H3,(H,30,33).
What are the key properties of 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).