5-piperidin-4-yloxypent-1-yn-3-one

C10H15NO2 — CID 116572281

IUPAC5-piperidin-4-yloxypent-1-yn-3-one
SMILESC#CC(=O)CCOC1CCNCC1
InChIInChI=1S/C10H15NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h1,10-11H,3-8H2
InChIKeyFXYDKIHZVTXKBY-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.35
Rot. Bonds4

About 5-piperidin-4-yloxypent-1-yn-3-one

5-piperidin-4-yloxypent-1-yn-3-one (PubChem CID 116572281) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-piperidin-4-yloxypent-1-yn-3-one.

Molecular Properties

Compound Name5-piperidin-4-yloxypent-1-yn-3-one
PubChem CID116572281
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-piperidin-4-yloxypent-1-yn-3-one
SMILESC#CC(=O)CCOC1CCNCC1
InChIInChI=1S/C10H15NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h1,10-11H,3-8H2
InChIKeyFXYDKIHZVTXKBY-UHFFFAOYSA-N
XLogP0.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yloxypent-1-yn-3-one?
The IUPAC name of 5-piperidin-4-yloxypent-1-yn-3-one (CID 116572281) is 5-piperidin-4-yloxypent-1-yn-3-one.
What is the SMILES notation for 5-piperidin-4-yloxypent-1-yn-3-one?
The canonical SMILES for 5-piperidin-4-yloxypent-1-yn-3-one is C#CC(=O)CCOC1CCNCC1.
What is the InChIKey of 5-piperidin-4-yloxypent-1-yn-3-one?
The InChIKey is FXYDKIHZVTXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h1,10-11H,3-8H2.
What are the key properties of 5-piperidin-4-yloxypent-1-yn-3-one?
5-piperidin-4-yloxypent-1-yn-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yloxypent-1-yn-3-one is sourced from PubChem (CID 116572281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).