1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone

C13H17NO3 — CID 142266390

IUPAC1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C13H17NO3/c1-10(15)11-5-7-14(8-6-11)13(16)12-4-2-3-9-17-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyAAKXSRFYTXGXEH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.63
Rot. Bonds2

About 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone

1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone (PubChem CID 142266390) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone
PubChem CID142266390
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C13H17NO3/c1-10(15)11-5-7-14(8-6-11)13(16)12-4-2-3-9-17-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyAAKXSRFYTXGXEH-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone (CID 142266390) is 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)C2=CCC=CO2)CC1.
What is the InChIKey of 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is AAKXSRFYTXGXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)11-5-7-14(8-6-11)13(16)12-4-2-3-9-17-12/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone?
1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 142266390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).