3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide

C27H29FN2O — CID 42850898

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C27H29FN2O/c28-26-12-5-4-10-25(26)19-29-27(31)24-11-6-9-23(18-24)20-30-15-13-22(14-16-30)17-21-7-2-1-3-8-21/h1-12,18,22H,13-17,19-20H2,(H,29,31)
InChIKeyOSJJIBXBVAHQAJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.21
Rot. Bonds7

About 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide

3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 42850898) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID42850898
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C27H29FN2O/c28-26-12-5-4-10-25(26)19-29-27(31)24-11-6-9-23(18-24)20-30-15-13-22(14-16-30)17-21-7-2-1-3-8-21/h1-12,18,22H,13-17,19-20H2,(H,29,31)
InChIKeyOSJJIBXBVAHQAJ-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42851608
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide (CID 42850898) is 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is OSJJIBXBVAHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O/c28-26-12-5-4-10-25(26)19-29-27(31)24-11-6-9-23(18-24)20-30-15-13-22(14-16-30)17-21-7-2-1-3-8-21/h1-12,18,22H,13-17,19-20H2,(H,29,31).
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide?
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42850898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).