4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

C25H25F2N3O2 — CID 24819172

IUPAC4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H25F2N3O2/c26-20-7-4-19(24(27)15-20)17-30-13-10-23(11-14-30)32-22-8-5-18(6-9-22)25(31)29-16-21-3-1-2-12-28-21/h1-9,12,15,23H,10-11,13-14,16-17H2,(H,29,31)
InChIKeyDWSKKCADGUGTGQ-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.33
Rot. Bonds7

About 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24819172) has the molecular formula C25H25F2N3O2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24819172
Molecular FormulaC25H25F2N3O2
Molecular Weight437.49 g/mol
Exact Mass437.19
IUPAC Name4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H25F2N3O2/c26-20-7-4-19(24(27)15-20)17-30-13-10-23(11-14-30)32-22-8-5-18(6-9-22)25(31)29-16-21-3-1-2-12-28-21/h1-9,12,15,23H,10-11,13-14,16-17H2,(H,29,31)
InChIKeyDWSKKCADGUGTGQ-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24819172) is 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DWSKKCADGUGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2/c26-20-7-4-19(24(27)15-20)17-30-13-10-23(11-14-30)32-22-8-5-18(6-9-22)25(31)29-16-21-3-1-2-12-28-21/h1-9,12,15,23H,10-11,13-14,16-17H2,(H,29,31).
What are the key properties of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 437.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24819172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).