methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate

C11H20N2O3 — CID 83989738

IUPACmethyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
SMILESCNC1CC(CC(=O)OC)CN(C(C)=O)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)13-6-9(5-11(15)16-3)4-10(7-13)12-2/h9-10,12H,4-7H2,1-3H3
InChIKeyRLOQBNDBAAZQFJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds3

About methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate

methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate (PubChem CID 83989738) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
PubChem CID83989738
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
SMILESCNC1CC(CC(=O)OC)CN(C(C)=O)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)13-6-9(5-11(15)16-3)4-10(7-13)12-2/h9-10,12H,4-7H2,1-3H3
InChIKeyRLOQBNDBAAZQFJ-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate (CID 83989738) is methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate is CNC1CC(CC(=O)OC)CN(C(C)=O)C1.
What is the InChIKey of methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate?
The InChIKey is RLOQBNDBAAZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)13-6-9(5-11(15)16-3)4-10(7-13)12-2/h9-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate?
methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83989738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).