2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

C26H32F2N2O2 — CID 45169359

IUPAC2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C26H32F2N2O2/c27-23-9-7-20(8-10-23)16-26(31)30(19-24-5-3-15-32-24)17-21-11-13-29(14-12-21)18-22-4-1-2-6-25(22)28/h1-2,4,6-10,21,24H,3,5,11-19H2
InChIKeyKCESARLRSWSEIO-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.43
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45169359) has the molecular formula C26H32F2N2O2 and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID45169359
Molecular FormulaC26H32F2N2O2
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C26H32F2N2O2/c27-23-9-7-20(8-10-23)16-26(31)30(19-24-5-3-15-32-24)17-21-11-13-29(14-12-21)18-22-4-1-2-6-25(22)28/h1-2,4,6-10,21,24H,3,5,11-19H2
InChIKeyKCESARLRSWSEIO-UHFFFAOYSA-N
XLogP4.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 45169359) is 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KCESARLRSWSEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O2/c27-23-9-7-20(8-10-23)16-26(31)30(19-24-5-3-15-32-24)17-21-11-13-29(14-12-21)18-22-4-1-2-6-25(22)28/h1-2,4,6-10,21,24H,3,5,11-19H2.
What are the key properties of 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 442.55 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45169359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).