4-methyl-1-piperidin-4-yloxypent-3-en-2-one

C11H19NO2 — CID 116571203

IUPAC4-methyl-1-piperidin-4-yloxypent-3-en-2-one
SMILESCC(C)=CC(=O)COC1CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(2)7-10(13)8-14-11-3-5-12-6-4-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyFOZGXRAOHXZNME-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.29
Rot. Bonds4

About 4-methyl-1-piperidin-4-yloxypent-3-en-2-one

4-methyl-1-piperidin-4-yloxypent-3-en-2-one (PubChem CID 116571203) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methyl-1-piperidin-4-yloxypent-3-en-2-one.

Molecular Properties

Compound Name4-methyl-1-piperidin-4-yloxypent-3-en-2-one
PubChem CID116571203
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-methyl-1-piperidin-4-yloxypent-3-en-2-one
SMILESCC(C)=CC(=O)COC1CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(2)7-10(13)8-14-11-3-5-12-6-4-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyFOZGXRAOHXZNME-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-4-yloxypent-3-en-2-one?
The IUPAC name of 4-methyl-1-piperidin-4-yloxypent-3-en-2-one (CID 116571203) is 4-methyl-1-piperidin-4-yloxypent-3-en-2-one.
What is the SMILES notation for 4-methyl-1-piperidin-4-yloxypent-3-en-2-one?
The canonical SMILES for 4-methyl-1-piperidin-4-yloxypent-3-en-2-one is CC(C)=CC(=O)COC1CCNCC1.
What is the InChIKey of 4-methyl-1-piperidin-4-yloxypent-3-en-2-one?
The InChIKey is FOZGXRAOHXZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)7-10(13)8-14-11-3-5-12-6-4-11/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of 4-methyl-1-piperidin-4-yloxypent-3-en-2-one?
4-methyl-1-piperidin-4-yloxypent-3-en-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-4-yloxypent-3-en-2-one is sourced from PubChem (CID 116571203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).