[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

C19H26N2O6 — CID 4110027

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C19H26N2O6/c1-13-6-8-21(9-7-13)17(22)12-27-18(23)11-20-19(24)14-4-5-15(25-2)16(10-14)26-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,24)
InChIKeyUWVIJCIICXLNKB-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.24
Rot. Bonds7

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 4110027) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID4110027
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C19H26N2O6/c1-13-6-8-21(9-7-13)17(22)12-27-18(23)11-20-19(24)14-4-5-15(25-2)16(10-14)26-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,24)
InChIKeyUWVIJCIICXLNKB-UHFFFAOYSA-N
XLogP1.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Trimethobenzamide
CID 5577
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2853045
(3s,4s)-4-({[4-Methoxy-3-(3-Methoxypropoxy)benzoyl](Propan-2-Yl)amino}methyl)pyrrolidin-3-Yl Benzylcarbamate
CID 59271992
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
Benzamide, 3,4-dimethoxy-N-dodecyl-
CID 4193156
Morpholine, 4-(1,3-benzodioxol-5-ylcarbonyl)-
CID 785894
N-(3,4,5-Trimethoxybenzoyl)glycine
CID 221611

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 4110027) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1OC.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is UWVIJCIICXLNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-13-6-8-21(9-7-13)17(22)12-27-18(23)11-20-19(24)14-4-5-15(25-2)16(10-14)26-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,24).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 378.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 4110027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).