1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C24H30FN3O2 — CID 55738816

IUPAC1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)c1C
InChIInChI=1S/C24H30FN3O2/c1-17-6-5-9-22(18(17)2)27-23(29)16-28-14-11-20(12-15-28)24(30)26-13-10-19-7-3-4-8-21(19)25/h3-9,20H,10-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVDHAMODDEUQJMC-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.45
Rot. Bonds7

About 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55738816) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55738816
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)c1C
InChIInChI=1S/C24H30FN3O2/c1-17-6-5-9-22(18(17)2)27-23(29)16-28-14-11-20(12-15-28)24(30)26-13-10-19-7-3-4-8-21(19)25/h3-9,20H,10-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVDHAMODDEUQJMC-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55841955
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
CID 55842848
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
1-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738942
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55738816) is 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is Cc1cccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is VDHAMODDEUQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-6-5-9-22(18(17)2)27-23(29)16-28-14-11-20(12-15-28)24(30)26-13-10-19-7-3-4-8-21(19)25/h3-9,20H,10-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55738816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).