4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide

C25H23FN2O3 — CID 133107908

IUPAC4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)
InChIKeyGKQVMMKXPPAKMY-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.74
Rot. Bonds5

About 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide

4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide (PubChem CID 133107908) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide
PubChem CID133107908
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)
InChIKeyGKQVMMKXPPAKMY-UHFFFAOYSA-N
XLogP4.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide (CID 133107908) is 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide?
The InChIKey is GKQVMMKXPPAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29).
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide?
4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperidine-1-carbonyl]phenoxy]benzamide is sourced from PubChem (CID 133107908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).