[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

C18H25NO6 — CID 16523934

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCCCC2C)c(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-12-7-5-6-10-19(12)15(20)11-25-18(21)13-8-9-14(22-2)17(24-4)16(13)23-3/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeySJIFTGFETZZOPC-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.27
Rot. Bonds6

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (PubChem CID 16523934) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
PubChem CID16523934
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCCCC2C)c(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-12-7-5-6-10-19(12)15(20)11-25-18(21)13-8-9-14(22-2)17(24-4)16(13)23-3/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeySJIFTGFETZZOPC-UHFFFAOYSA-N
XLogP2.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197839
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197855
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203413
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203426
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522249
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 2505986
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 41105144
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 46627369
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (CID 16523934) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCCCC2C)c(OC)c1OC.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is SJIFTGFETZZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-12-7-5-6-10-19(12)15(20)11-25-18(21)13-8-9-14(22-2)17(24-4)16(13)23-3/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 351.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 16523934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).