N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

C14H20FN2O+ — CID 2698019

IUPACN-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-5-2-3-8-17(11)10-14(18)16-13-7-4-6-12(15)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyOAINULQDHFWDCL-LLVKDONJSA-O
MW251.32 g/mol
LogP1.22
Rot. Bonds3

About N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2698019) has the molecular formula C14H20FN2O+ and a molecular weight of 251.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2698019
Molecular FormulaC14H20FN2O+
Molecular Weight251.32 g/mol
Exact Mass251.16
IUPAC NameN-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-5-2-3-8-17(11)10-14(18)16-13-7-4-6-12(15)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyOAINULQDHFWDCL-LLVKDONJSA-O
XLogP1.22
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8623367
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711156
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 2698019) is N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1CCCC[NH+]1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is OAINULQDHFWDCL-LLVKDONJSA-O. The full InChI is InChI=1S/C14H19FN2O/c1-11-5-2-3-8-17(11)10-14(18)16-13-7-4-6-12(15)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,18)/p+1/t11-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 251.32 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-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2698019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).