1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide

C25H24F2N2O3 — CID 30992627

IUPAC1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H24F2N2O3/c1-17-4-7-20(8-5-17)29(16-21-3-2-14-32-21)24(30)18-10-12-28(13-11-18)25(31)22-9-6-19(26)15-23(22)27/h2-9,14-15,18H,10-13,16H2,1H3
InChIKeyOEFIYLWHRMARRK-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.95
Rot. Bonds5

About 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 30992627) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID30992627
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC Name1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H24F2N2O3/c1-17-4-7-20(8-5-17)29(16-21-3-2-14-32-21)24(30)18-10-12-28(13-11-18)25(31)22-9-6-19(26)15-23(22)27/h2-9,14-15,18H,10-13,16H2,1H3
InChIKeyOEFIYLWHRMARRK-UHFFFAOYSA-N
XLogP4.95
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 30992627) is 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is OEFIYLWHRMARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c1-17-4-7-20(8-5-17)29(16-21-3-2-14-32-21)24(30)18-10-12-28(13-11-18)25(31)22-9-6-19(26)15-23(22)27/h2-9,14-15,18H,10-13,16H2,1H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 30992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).