1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one

C14H17NO2 — CID 67783386

IUPAC1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C=CC2C=CC=CC2)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-4,6-7,12H,5,8-11H2
InChIKeyLSYPBWPEYVBREW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds2

About 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one

1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one (PubChem CID 67783386) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
PubChem CID67783386
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C=CC2C=CC=CC2)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-4,6-7,12H,5,8-11H2
InChIKeyLSYPBWPEYVBREW-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one?
The IUPAC name of 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one (CID 67783386) is 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one?
The canonical SMILES for 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one is O=C1CCN(C(=O)C=CC2C=CC=CC2)CC1.
What is the InChIKey of 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one?
The InChIKey is LSYPBWPEYVBREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-4,6-7,12H,5,8-11H2.
What are the key properties of 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one?
1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one is sourced from PubChem (CID 67783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).