1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone

C12H24N2O2 — CID 168940792

IUPAC1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOC1CCN(C(=O)CN(C)C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)13(3)9-12(15)14-7-5-11(16-4)6-8-14/h10-11H,5-9H2,1-4H3
InChIKeyJALCSIALYWWGGK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone

1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 168940792) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID168940792
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOC1CCN(C(=O)CN(C)C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)13(3)9-12(15)14-7-5-11(16-4)6-8-14/h10-11H,5-9H2,1-4H3
InChIKeyJALCSIALYWWGGK-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone (CID 168940792) is 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone is COC1CCN(C(=O)CN(C)C(C)C)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is JALCSIALYWWGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)13(3)9-12(15)14-7-5-11(16-4)6-8-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 168940792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).