2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone

C10H20N2O2 — CID 114498163

IUPAC2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COC)CC1C
InChIInChI=1S/C10H20N2O2/c1-8-6-12(10(13)7-14-3)5-4-9(8)11-2/h8-9,11H,4-7H2,1-3H3
InChIKeyWMGSZIFXQICKOB-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone

2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 114498163) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
PubChem CID114498163
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COC)CC1C
InChIInChI=1S/C10H20N2O2/c1-8-6-12(10(13)7-14-3)5-4-9(8)11-2/h8-9,11H,4-7H2,1-3H3
InChIKeyWMGSZIFXQICKOB-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
CID 115871790
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone (CID 114498163) is 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)COC)CC1C.
What is the InChIKey of 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is WMGSZIFXQICKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-6-12(10(13)7-14-3)5-4-9(8)11-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 114498163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).