2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C21H25FN2O — CID 2539598

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyUCFDJCOHTHPMNM-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2539598) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2539598
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyUCFDJCOHTHPMNM-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 2539598) is 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UCFDJCOHTHPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 340.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2539598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).