2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

C14H26N2O2 — CID 119398894

IUPAC2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H26N2O2/c1-4-5-9-18-12(2)14(17)16-8-6-7-13(11-16)10-15-3/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyIDGIMNLJUAEQFP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds7

About 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119398894) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119398894
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H26N2O2/c1-4-5-9-18-12(2)14(17)16-8-6-7-13(11-16)10-15-3/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyIDGIMNLJUAEQFP-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 119398894) is 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is C=CCCOC(C)C(=O)N1CCCC(CNC)C1.
What is the InChIKey of 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is IDGIMNLJUAEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-9-18-12(2)14(17)16-8-6-7-13(11-16)10-15-3/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119398894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).