[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C19H24FNO4 — CID 3547079

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO4/c1-13-4-3-5-14(2)21(13)18(23)12-25-19(24)11-10-17(22)15-6-8-16(20)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3
InChIKeyMRPAYBRMCJOCFB-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.12
Rot. Bonds6

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 3547079) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID3547079
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO4/c1-13-4-3-5-14(2)21(13)18(23)12-25-19(24)11-10-17(22)15-6-8-16(20)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3
InChIKeyMRPAYBRMCJOCFB-UHFFFAOYSA-N
XLogP3.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 3547079) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CC1CCCC(C)N1C(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is MRPAYBRMCJOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-13-4-3-5-14(2)21(13)18(23)12-25-19(24)11-10-17(22)15-6-8-16(20)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 349.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 3547079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).