N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C14H19F2N2O+ — CID 2655007

IUPACN-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)/p+1
InChIKeyQBTYIGFWMPHQBG-UHFFFAOYSA-O
MW269.31 g/mol
LogP1.22
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 2655007) has the molecular formula C14H19F2N2O+ and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID2655007
Molecular FormulaC14H19F2N2O+
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC NameN-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)/p+1
InChIKeyQBTYIGFWMPHQBG-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

2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654003
N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543888
N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8540767
2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7266495
N-(4-chloro-3-nitrophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 7438996
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655081
ethyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931614
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681737
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 2655007) is N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is QBTYIGFWMPHQBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18F2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)/p+1.
What are the key properties of N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-(3,4-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-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2655007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).