1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide

C16H22FN3O2 — CID 171701663

IUPAC1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-19(2)16(22)12-7-9-20(10-8-12)11-15(21)18-14-6-4-3-5-13(14)17/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyISSRJLGNLWQZGQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide

1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 171701663) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID171701663
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-19(2)16(22)12-7-9-20(10-8-12)11-15(21)18-14-6-4-3-5-13(14)17/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyISSRJLGNLWQZGQ-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
CID 171691004
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide (CID 171701663) is 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is ISSRJLGNLWQZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(2)16(22)12-7-9-20(10-8-12)11-15(21)18-14-6-4-3-5-13(14)17/h3-6,12H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 171701663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).