[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C18H23FN2O4 — CID 4858451

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H23FN2O4/c1-12-6-5-7-13(2)21(12)16(22)11-25-17(23)10-20-18(24)14-8-3-4-9-15(14)19/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,20,24)
InChIKeyIFDUZXOHZJNVJV-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.89
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 4858451) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID4858451
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H23FN2O4/c1-12-6-5-7-13(2)21(12)16(22)11-25-17(23)10-20-18(24)14-8-3-4-9-15(14)19/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,20,24)
InChIKeyIFDUZXOHZJNVJV-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
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] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 4858451) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is CC1CCCC(C)N1C(=O)COC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is IFDUZXOHZJNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-12-6-5-7-13(2)21(12)16(22)11-25-17(23)10-20-18(24)14-8-3-4-9-15(14)19/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,20,24).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 350.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 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] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4858451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).