N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

C20H22F2N2O2 — CID 86972309

IUPACN-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-18-9-8-16(11-19(18)22)23-20(25)13-24-10-4-5-15(12-24)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,23,25)
InChIKeyAUJSGHCXJPEULS-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.69
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972309) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972309
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-18-9-8-16(11-19(18)22)23-20(25)13-24-10-4-5-15(12-24)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,23,25)
InChIKeyAUJSGHCXJPEULS-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972373
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972309) is N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is AUJSGHCXJPEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-18-9-8-16(11-19(18)22)23-20(25)13-24-10-4-5-15(12-24)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 360.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).