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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Related Compounds

acetic acid;3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 175178095
1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-one
CID 54478992
1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one
CID 143407668
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
CID 162120137
5-(2-nitroethenyl)cyclohexa-1,3-diene
CID 70035465
(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
CID 134873879
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
CID 143896906
1-acetylpiperidin-4-one;ethane
CID 91328133
2-[4-[(E)-3-cyclotetradecylprop-2-enoyl]-7-oxo-1,4-diazepan-1-yl]acetaldehyde
CID 89321786
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
3-[6-(3-chloropropylidene)cyclohexa-2,4-dien-1-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 139825700

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).