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

C14H19F2N2O+ — CID 2681830

IUPACN-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m0/s1
InChIKeyIIFLZZMBZSASCL-JTQLQIEISA-O
MW269.31 g/mol
LogP1.22
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2681830) has the molecular formula C14H19F2N2O+ and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2681830
Molecular FormulaC14H19F2N2O+
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC NameN-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m0/s1
InChIKeyIIFLZZMBZSASCL-JTQLQIEISA-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-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681737
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(2-methyl-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409447
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2,5-difluorophenyl)acetamide
CID 11940857
N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7248170
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2064227
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7392316

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 2681830) is N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is C[C@H]1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is IIFLZZMBZSASCL-JTQLQIEISA-O. The full InChI is InChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m0/s1.
What are the key properties of N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[(3S)-3-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-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2681830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).