methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate

C11H20N2O3 — CID 94152272

IUPACmethyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)N(C)CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C11H20N2O3/c1-9-5-4-6-13(7-9)10(14)8-12(2)11(15)16-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyLNNWAVYWHJXPJL-VIFPVBQESA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds2

About methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate

methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 94152272) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID94152272
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)N(C)CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C11H20N2O3/c1-9-5-4-6-13(7-9)10(14)8-12(2)11(15)16-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyLNNWAVYWHJXPJL-VIFPVBQESA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate
CID 51082062
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
methyl 1-[2-[acetyl(methyl)amino]acetyl]piperidine-3-carboxylate
CID 78919197
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
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
2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 107203920
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate (CID 94152272) is methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate is COC(=O)N(C)CC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is LNNWAVYWHJXPJL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-5-4-6-13(7-9)10(14)8-12(2)11(15)16-3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate?
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 94152272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).