3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one

C15H30N2O2 — CID 176575783

IUPAC3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one
SMILESCC(C)C(=O)CNCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)15(18)11-16-7-10-19-14-5-8-17(9-6-14)13(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyXCBBJDNRUXABTQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.69
Rot. Bonds8

About 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one

3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one (PubChem CID 176575783) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one
PubChem CID176575783
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one
SMILESCC(C)C(=O)CNCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)15(18)11-16-7-10-19-14-5-8-17(9-6-14)13(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyXCBBJDNRUXABTQ-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one?
The IUPAC name of 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one (CID 176575783) is 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one?
The canonical SMILES for 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one is CC(C)C(=O)CNCCOC1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one?
The InChIKey is XCBBJDNRUXABTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)15(18)11-16-7-10-19-14-5-8-17(9-6-14)13(3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one?
3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one is sourced from PubChem (CID 176575783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).