N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C14H19F2N2O+ — CID 8543888

IUPACN-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-10-5-7-18(8-6-10)9-13(19)17-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3,(H,17,19)/p+1
InChIKeyYQGOBQLRXPSNAZ-UHFFFAOYSA-O
MW269.31 g/mol
LogP1.22
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8543888) has the molecular formula C14H19F2N2O+ and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8543888
Molecular FormulaC14H19F2N2O+
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC NameN-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-10-5-7-18(8-6-10)9-13(19)17-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3,(H,17,19)/p+1
InChIKeyYQGOBQLRXPSNAZ-UHFFFAOYSA-O
XLogP1.22
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
(3R)-1-[2-(2,6-difluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305502
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-difluorophenyl)acetamide
CID 9438364
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)acetamide
CID 9435761
2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7266495
N-(2,6-difluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997053
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435645
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 8557991
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8543888) is N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is YQGOBQLRXPSNAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18F2N2O/c1-10-5-7-18(8-6-10)9-13(19)17-14-11(15)3-2-4-12(14)16/h2-4,10H,5-9H2,1H3,(H,17,19)/p+1.
What are the key properties of N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8543888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).