1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one

C16H30N2O2 — CID 171557049

IUPAC1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one
SMILESCOC1CCN(C2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)12-17-8-4-14(5-9-17)18-10-6-15(20-3)7-11-18/h13-15H,4-12H2,1-3H3
InChIKeyVFAAWJKANIMBJC-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds5

About 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one

1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one (PubChem CID 171557049) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one
PubChem CID171557049
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one
SMILESCOC1CCN(C2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)12-17-8-4-14(5-9-17)18-10-6-15(20-3)7-11-18/h13-15H,4-12H2,1-3H3
InChIKeyVFAAWJKANIMBJC-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one (CID 171557049) is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one is COC1CCN(C2CCN(CC(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one?
The InChIKey is VFAAWJKANIMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)16(19)12-17-8-4-14(5-9-17)18-10-6-15(20-3)7-11-18/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one?
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 171557049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).