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

C21H24F2N2O2 — CID 52992943

IUPACN-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COCc2ccccc2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c22-18-8-9-20(19(23)11-18)24-21(26)13-25-10-4-7-17(12-25)15-27-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-15H2,(H,24,26)
InChIKeyZBRZHIOBZFOIQT-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.83
Rot. Bonds7

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

N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide (PubChem CID 52992943) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide
PubChem CID52992943
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COCc2ccccc2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c22-18-8-9-20(19(23)11-18)24-21(26)13-25-10-4-7-17(12-25)15-27-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-15H2,(H,24,26)
InChIKeyZBRZHIOBZFOIQT-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide (CID 52992943) is N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(COCc2ccccc2)C1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is ZBRZHIOBZFOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c22-18-8-9-20(19(23)11-18)24-21(26)13-25-10-4-7-17(12-25)15-27-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-15H2,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 374.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 52992943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).