methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

C15H28N2O4 — CID 78958946

IUPACmethyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H28N2O4/c1-13-4-8-17(9-5-13)14(18)12-16(10-11-20-2)7-6-15(19)21-3/h13H,4-12H2,1-3H3
InChIKeyOJIGCOXYELJRMP-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.76
Rot. Bonds8

About methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (PubChem CID 78958946) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
PubChem CID78958946
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H28N2O4/c1-13-4-8-17(9-5-13)14(18)12-16(10-11-20-2)7-6-15(19)21-3/h13H,4-12H2,1-3H3
InChIKeyOJIGCOXYELJRMP-UHFFFAOYSA-N
XLogP0.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate with MolForge

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
CID 82892050
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
2-[2-methoxyethyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 54969051
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
CID 170895884

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (CID 78958946) is methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is COCCN(CCC(=O)OC)CC(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The InChIKey is OJIGCOXYELJRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-13-4-8-17(9-5-13)14(18)12-16(10-11-20-2)7-6-15(19)21-3/h13H,4-12H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate has a molecular weight of 300.40 g/mol, XLogP of 0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 78958946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).