methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate

C15H28N2O3 — CID 60964543

IUPACmethyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20-5)9-16(4)10-14(18)17-12(2)7-6-8-13(17)3/h11-13H,6-10H2,1-5H3
InChIKeyYOXBNHNPDVJAEG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds5

About methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60964543) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60964543
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20-5)9-16(4)10-14(18)17-12(2)7-6-8-13(17)3/h11-13H,6-10H2,1-5H3
InChIKeyYOXBNHNPDVJAEG-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60965870
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 97051854
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
CID 83021227
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 58689259
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[methyl-[(2S,3S)-3-methylsulfonylbutan-2-yl]amino]ethanone
CID 99103987
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60964543) is methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)N1C(C)CCCC1C.
What is the InChIKey of methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is YOXBNHNPDVJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(15(19)20-5)9-16(4)10-14(18)17-12(2)7-6-8-13(17)3/h11-13H,6-10H2,1-5H3.
What are the key properties of methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 284.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60964543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).