1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H23FN2O2 — CID 24818887

IUPAC1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-15-5-2-3-7-17(15)12-23-21(26)18-9-10-20(25)24(14-18)13-16-6-4-8-19(22)11-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,26)
InChIKeyCZSBJHMIESWHJF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.19
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24818887) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24818887
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-15-5-2-3-7-17(15)12-23-21(26)18-9-10-20(25)24(14-18)13-16-6-4-8-19(22)11-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,26)
InChIKeyCZSBJHMIESWHJF-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24818887) is 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CZSBJHMIESWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-15-5-2-3-7-17(15)12-23-21(26)18-9-10-20(25)24(14-18)13-16-6-4-8-19(22)11-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,26).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24818887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).