3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C11H20N2O3 — CID 106113959

IUPAC3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOCC1=CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-15-8-9-3-5-13(6-4-9)11(14)10(7-12)16-2/h3,10H,4-8,12H2,1-2H3
InChIKeyMHKYCPOSSXDYFT-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.23
Rot. Bonds5

About 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 106113959) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID106113959
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOCC1=CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-15-8-9-3-5-13(6-4-9)11(14)10(7-12)16-2/h3,10H,4-8,12H2,1-2H3
InChIKeyMHKYCPOSSXDYFT-UHFFFAOYSA-N
XLogP-0.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113964
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656646
4-amino-3-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 103156818
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 104919712
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-methoxypropan-1-one
CID 106113957
3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106113958
3-amino-2-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313840
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-morpholin-2-ylmethanone
CID 113581471
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114390112
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-propan-2-yloxyethanone
CID 114390124
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390130
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone
CID 114409548

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 106113959) is 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is COCC1=CCN(C(=O)C(CN)OC)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is MHKYCPOSSXDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-8-9-3-5-13(6-4-9)11(14)10(7-12)16-2/h3,10H,4-8,12H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.23, 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-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 106113959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).