1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide

C24H31FN6O — CID 118254907

IUPAC1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(c3ncnc(-c4ccc(F)cc4)n3)CC2)CCN2CCC1CC2
InChIInChI=1S/C24H31FN6O/c1-24(10-15-30-11-8-19(24)9-12-30)29-22(32)18-6-13-31(14-7-18)23-27-16-26-21(28-23)17-2-4-20(25)5-3-17/h2-5,16,18-19H,6-15H2,1H3,(H,29,32)
InChIKeyKTTUUFCDFBATEP-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide

1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide (PubChem CID 118254907) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
PubChem CID118254907
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(c3ncnc(-c4ccc(F)cc4)n3)CC2)CCN2CCC1CC2
InChIInChI=1S/C24H31FN6O/c1-24(10-15-30-11-8-19(24)9-12-30)29-22(32)18-6-13-31(14-7-18)23-27-16-26-21(28-23)17-2-4-20(25)5-3-17/h2-5,16,18-19H,6-15H2,1H3,(H,29,32)
InChIKeyKTTUUFCDFBATEP-UHFFFAOYSA-N
XLogP2.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-fluoro-4-[4-(3-methoxypropoxy)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254787
1-[5-fluoro-4-[4-(2-methoxyethoxymethyl)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254719
N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
CID 118254774
1-[5-fluoro-4-[4-(methoxymethyl)phenyl]pyrimidin-2-yl]-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254927
4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
CID 118254683
4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254769
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
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53034149
4-fluoro-1-[4-[4-(methoxymethyl)phenyl]pyrimidin-2-yl]-N-[(3S)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]piperidine-4-carboxamide
CID 118254857
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide (CID 118254907) is 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide is CC1(NC(=O)C2CCN(c3ncnc(-c4ccc(F)cc4)n3)CC2)CCN2CCC1CC2.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
The InChIKey is KTTUUFCDFBATEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-24(10-15-30-11-8-19(24)9-12-30)29-22(32)18-6-13-31(14-7-18)23-27-16-26-21(28-23)17-2-4-20(25)5-3-17/h2-5,16,18-19H,6-15H2,1H3,(H,29,32).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide?
1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).