(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

C20H29NO6 — CID 66815252

IUPAC(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)OC1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C20H29NO6/c1-6-25-19(23)27-20(7-9-21(24-5)10-8-20)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3
InChIKeyAZJCORSWVJSUHP-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.22
Rot. Bonds6

About (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (PubChem CID 66815252) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Name(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
PubChem CID66815252
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)OC1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C20H29NO6/c1-6-25-19(23)27-20(7-9-21(24-5)10-8-20)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3
InChIKeyAZJCORSWVJSUHP-UHFFFAOYSA-N
XLogP3.22
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (CID 66815252) is (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is CCOC(=O)OC1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1.
What is the InChIKey of (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is AZJCORSWVJSUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c1-6-25-19(23)27-20(7-9-21(24-5)10-8-20)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3.
What are the key properties of (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
(4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 379.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 66815252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).