3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

C11H22N2O3 — CID 106114088

IUPAC3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C11H22N2O3/c1-15-8-9-4-3-5-13(7-9)11(14)10(6-12)16-2/h9-10H,3-8,12H2,1-2H3
InChIKeyUGZBWZYEFQIQIA-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.15
Rot. Bonds5

About 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 106114088) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID106114088
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C11H22N2O3/c1-15-8-9-4-3-5-13(7-9)11(14)10(6-12)16-2/h9-10H,3-8,12H2,1-2H3
InChIKeyUGZBWZYEFQIQIA-UHFFFAOYSA-N
XLogP-0.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 106113073
3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106112639
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
CID 103831721
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 106114088) is 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCCN(C(=O)C(CN)OC)C1.
What is the InChIKey of 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is UGZBWZYEFQIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-8-9-4-3-5-13(7-9)11(14)10(6-12)16-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 106114088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).