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

C21H25FN2O — CID 8539276

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyQFBVCJGFWLAJLH-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.40
Rot. Bonds6

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

2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 8539276) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID8539276
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyQFBVCJGFWLAJLH-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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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 71708480
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 8539276) is 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccccc1F.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is QFBVCJGFWLAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-21(25)16-24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[(2-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-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8539276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).