methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate

C20H30N2O5 — CID 55777250

IUPACmethyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCCN2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C20H30N2O5/c1-14-9-15(2)12-22(11-14)8-7-21-20(24)16-5-6-17(18(10-16)25-3)27-13-19(23)26-4/h5-6,10,14-15H,7-9,11-13H2,1-4H3,(H,21,24)
InChIKeyYUSXMEKDFROALA-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.95
Rot. Bonds8

About methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55777250) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55777250
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Namemethyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCCN2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C20H30N2O5/c1-14-9-15(2)12-22(11-14)8-7-21-20(24)16-5-6-17(18(10-16)25-3)27-13-19(23)26-4/h5-6,10,14-15H,7-9,11-13H2,1-4H3,(H,21,24)
InChIKeyYUSXMEKDFROALA-UHFFFAOYSA-N
XLogP1.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
CID 55773755
N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55723100
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-ethoxy-3-nitrobenzamide
CID 51953657
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate (CID 55777250) is methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)NCCN2CC(C)CC(C)C2)cc1OC.
What is the InChIKey of methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is YUSXMEKDFROALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14-9-15(2)12-22(11-14)8-7-21-20(24)16-5-6-17(18(10-16)25-3)27-13-19(23)26-4/h5-6,10,14-15H,7-9,11-13H2,1-4H3,(H,21,24).
What are the key properties of methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 378.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55777250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).