N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide

C20H21F3N2O — CID 46047958

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F3N2O/c1-14(26)25(16-7-5-15(21)6-8-16)17-9-11-24(12-10-17)13-18-19(22)3-2-4-20(18)23/h2-8,17H,9-13H2,1H3
InChIKeyOQIGBAKUONUQLS-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.12
Rot. Bonds4

About N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 46047958) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID46047958
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F3N2O/c1-14(26)25(16-7-5-15(21)6-8-16)17-9-11-24(12-10-17)13-18-19(22)3-2-4-20(18)23/h2-8,17H,9-13H2,1H3
InChIKeyOQIGBAKUONUQLS-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 42853268
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 11950308
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
N-(4-fluorophenyl)-N-[1-(4-oxocyclohexyl)piperidin-4-yl]acetamide
CID 59434297

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 46047958) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide is CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OQIGBAKUONUQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-14(26)25(16-7-5-15(21)6-8-16)17-9-11-24(12-10-17)13-18-19(22)3-2-4-20(18)23/h2-8,17H,9-13H2,1H3.
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 362.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46047958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).