1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone

C18H34N4O2 — CID 171833689

IUPAC1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
SMILESCOC1CCN(C(=O)CN2CCC(N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-19-11-13-21(14-12-19)16-3-7-20(8-4-16)15-18(23)22-9-5-17(24-2)6-10-22/h16-17H,3-15H2,1-2H3
InChIKeyXONKTPKNCDXYLR-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.34
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone

1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone (PubChem CID 171833689) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
PubChem CID171833689
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
SMILESCOC1CCN(C(=O)CN2CCC(N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-19-11-13-21(14-12-19)16-3-7-20(8-4-16)15-18(23)22-9-5-17(24-2)6-10-22/h16-17H,3-15H2,1-2H3
InChIKeyXONKTPKNCDXYLR-UHFFFAOYSA-N
XLogP0.34
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone (CID 171833689) is 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone is COC1CCN(C(=O)CN2CCC(N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is XONKTPKNCDXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-19-11-13-21(14-12-19)16-3-7-20(8-4-16)15-18(23)22-9-5-17(24-2)6-10-22/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone?
1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 338.50 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 171833689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).