methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate

C12H22N2O3 — CID 60698117

IUPACmethyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-10-5-4-6-14(7-10)11(15)8-13(2)9-12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyBOKYXGCPAMLTIK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.35
Rot. Bonds4

About methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate

methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate (PubChem CID 60698117) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
PubChem CID60698117
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-10-5-4-6-14(7-10)11(15)8-13(2)9-12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyBOKYXGCPAMLTIK-UHFFFAOYSA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 107203920
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 62027607
N-(2-methoxyethyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113159876
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
4-[[methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]methyl]benzonitrile
CID 94104022
methyl 2-[1-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107776393

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate (CID 60698117) is methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate is COC(=O)CN(C)CC(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The InChIKey is BOKYXGCPAMLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-5-4-6-14(7-10)11(15)8-13(2)9-12(16)17-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60698117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).