N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide

C13H17F2N2O+ — CID 6934505

IUPACN-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)/p+1
InChIKeyOHILBOUXYWRSJC-UHFFFAOYSA-O
MW255.29 g/mol
LogP0.97
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide

N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 6934505) has the molecular formula C13H17F2N2O+ and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID6934505
Molecular FormulaC13H17F2N2O+
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC NameN-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)/p+1
InChIKeyOHILBOUXYWRSJC-UHFFFAOYSA-O
XLogP0.97
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.97
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-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2064227
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 5181353
N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896710
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 2656227
1-(2,4-difluorophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea
CID 2208104
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257
N-(2,4-difluorophenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435514
2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
N-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
N-(2,4-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2655979

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide (CID 6934505) is N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide is O=C(C[NH+]1CCCCC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is OHILBOUXYWRSJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)/p+1.
What are the key properties of N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide?
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 255.29 g/mol, XLogP of 0.97, 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-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 6934505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).