2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone

C11H17NO2 — CID 143198247

IUPAC2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone
SMILESC#CCN1CCCCC1C(=O)COC
InChIInChI=1S/C11H17NO2/c1-3-7-12-8-5-4-6-10(12)11(13)9-14-2/h1,10H,4-9H2,2H3
InChIKeyFHYSASRGYZCCDB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.69
Rot. Bonds4

About 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone

2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone (PubChem CID 143198247) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone
PubChem CID143198247
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone
SMILESC#CCN1CCCCC1C(=O)COC
InChIInChI=1S/C11H17NO2/c1-3-7-12-8-5-4-6-10(12)11(13)9-14-2/h1,10H,4-9H2,2H3
InChIKeyFHYSASRGYZCCDB-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone (CID 143198247) is 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone is C#CCN1CCCCC1C(=O)COC.
What is the InChIKey of 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone?
The InChIKey is FHYSASRGYZCCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-7-12-8-5-4-6-10(12)11(13)9-14-2/h1,10H,4-9H2,2H3.
What are the key properties of 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone?
2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone is sourced from PubChem (CID 143198247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).