4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide

C28H30F2N2O2 — CID 14407137

IUPAC4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H30F2N2O2/c29-24-8-2-20(3-9-24)27(21-4-10-25(30)11-5-21)22-14-17-32(18-15-22)16-1-19-34-26-12-6-23(7-13-26)28(31)33/h2-13,22,27H,1,14-19H2,(H2,31,33)
InChIKeyRBBRKCHFFYDLHN-UHFFFAOYSA-N
MW464.56 g/mol
LogP5.38
Rot. Bonds9

About 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide

4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide (PubChem CID 14407137) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
PubChem CID14407137
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H30F2N2O2/c29-24-8-2-20(3-9-24)27(21-4-10-25(30)11-5-21)22-14-17-32(18-15-22)16-1-19-34-26-12-6-23(7-13-26)28(31)33/h2-13,22,27H,1,14-19H2,(H2,31,33)
InChIKeyRBBRKCHFFYDLHN-UHFFFAOYSA-N
XLogP5.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide (CID 14407137) is 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide is NC(=O)c1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide?
The InChIKey is RBBRKCHFFYDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c29-24-8-2-20(3-9-24)27(21-4-10-25(30)11-5-21)22-14-17-32(18-15-22)16-1-19-34-26-12-6-23(7-13-26)28(31)33/h2-13,22,27H,1,14-19H2,(H2,31,33).
What are the key properties of 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide?
4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide has a molecular weight of 464.56 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide is sourced from PubChem (CID 14407137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).