1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one

C12H24N2O2 — CID 103810683

IUPAC1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C12H24N2O2/c1-10(7-13-2)12(15)14-6-4-5-11(8-14)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyZNTUYPBCNLXWCS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one

1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one (PubChem CID 103810683) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
PubChem CID103810683
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C12H24N2O2/c1-10(7-13-2)12(15)14-6-4-5-11(8-14)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyZNTUYPBCNLXWCS-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
2-methyl-3-(methylamino)-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119894722
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one (CID 103810683) is 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCCC(COC)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is ZNTUYPBCNLXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(7-13-2)12(15)14-6-4-5-11(8-14)9-16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 103810683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).