2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C20H22F2N2O — CID 51232553

IUPAC2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O/c21-17-5-4-6-18(22)19(17)20(25)23-13-15-7-9-16(10-8-15)14-24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25)
InChIKeyTUYMMCDOYOLEQV-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.88
Rot. Bonds5

About 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 51232553) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID51232553
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O/c21-17-5-4-6-18(22)19(17)20(25)23-13-15-7-9-16(10-8-15)14-24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25)
InChIKeyTUYMMCDOYOLEQV-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 51232553) is 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CN2CCCCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is TUYMMCDOYOLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-17-5-4-6-18(22)19(17)20(25)23-13-15-7-9-16(10-8-15)14-24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25).
What are the key properties of 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 51232553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).