2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H24F2N2O3 — CID 6619051

IUPAC2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)NCc3ccc(F)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N2O3/c1-33-22-12-10-21(11-13-22)30-24(31)15-14-23(25(30)18-4-8-20(28)9-5-18)26(32)29-16-17-2-6-19(27)7-3-17/h2-13,23,25H,14-16H2,1H3,(H,29,32)
InChIKeyPLLUXAQXJWGBOA-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 6619051) has the molecular formula C26H24F2N2O3 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID6619051
Molecular FormulaC26H24F2N2O3
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)NCc3ccc(F)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N2O3/c1-33-22-12-10-21(11-13-22)30-24(31)15-14-23(25(30)18-4-8-20(28)9-5-18)26(32)29-16-17-2-6-19(27)7-3-17/h2-13,23,25H,14-16H2,1H3,(H,29,32)
InChIKeyPLLUXAQXJWGBOA-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 6619051) is 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)NCc3ccc(F)cc3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PLLUXAQXJWGBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3/c1-33-22-12-10-21(11-13-22)30-24(31)15-14-23(25(30)18-4-8-20(28)9-5-18)26(32)29-16-17-2-6-19(27)7-3-17/h2-13,23,25H,14-16H2,1H3,(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 6619051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).