1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone

C11H19NO2 — CID 46153757

IUPAC1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone
SMILESC/C=C\COC1CCCN(C(C)=O)C1
InChIInChI=1S/C11H19NO2/c1-3-4-8-14-11-6-5-7-12(9-11)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3-
InChIKeyVATSBIOWRJBFLE-ARJAWSKDSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds3

About 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone

1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone (PubChem CID 46153757) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone
PubChem CID46153757
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone
SMILESC/C=C\COC1CCCN(C(C)=O)C1
InChIInChI=1S/C11H19NO2/c1-3-4-8-14-11-6-5-7-12(9-11)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3-
InChIKeyVATSBIOWRJBFLE-ARJAWSKDSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone (CID 46153757) is 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone is C/C=C\COC1CCCN(C(C)=O)C1.
What is the InChIKey of 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone?
The InChIKey is VATSBIOWRJBFLE-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-8-14-11-6-5-7-12(9-11)10(2)13/h3-4,11H,5-9H2,1-2H3/b4-3-.
What are the key properties of 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone?
1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 46153757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).