5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one

C16H19NO — CID 2798165

IUPAC5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H19NO/c18-16(17-13-7-2-8-14-17)12-6-5-11-15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyVNWDZNZLPSUNTD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.27
Rot. Bonds3

About 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one

5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 2798165) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID2798165
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H19NO/c18-16(17-13-7-2-8-14-17)12-6-5-11-15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyVNWDZNZLPSUNTD-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 86001004
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
CID 24842724
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 163759026
(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 160815421
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
CID 10244953
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 54754331
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
CID 77047625
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
CID 11471237
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 2798165) is 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one is O=C(C=CC=Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is VNWDZNZLPSUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16(17-13-7-2-8-14-17)12-6-5-11-15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one?
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 2798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).