[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C20H29NO6 — CID 5233890

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-13-6-14(2)11-21(10-13)18(22)12-27-19(23)9-15-7-16(24-3)20(26-5)17(8-15)25-4/h7-8,13-14H,6,9-12H2,1-5H3
InChIKeyFQQIUDWYKFCLST-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.30
Rot. Bonds7

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 5233890) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID5233890
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-13-6-14(2)11-21(10-13)18(22)12-27-19(23)9-15-7-16(24-3)20(26-5)17(8-15)25-4/h7-8,13-14H,6,9-12H2,1-5H3
InChIKeyFQQIUDWYKFCLST-UHFFFAOYSA-N
XLogP2.30
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 5233890) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is FQQIUDWYKFCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c1-13-6-14(2)11-21(10-13)18(22)12-27-19(23)9-15-7-16(24-3)20(26-5)17(8-15)25-4/h7-8,13-14H,6,9-12H2,1-5H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 379.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 5233890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).