(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one

C20H19NO — CID 6374106

IUPAC(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
SMILESCN1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1
InChIInChI=1S/C20H19NO/c1-21-14-18(12-16-8-4-2-5-9-16)20(22)19(15-21)13-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b18-12-,19-13+
InChIKeyGHSYIDDDJZZVKM-MGYAYREDSA-N
MW289.38 g/mol
LogP3.67
Rot. Bonds2

About (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one

(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one (PubChem CID 6374106) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one.

Molecular Properties

Compound Name(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
PubChem CID6374106
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
SMILESCN1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1
InChIInChI=1S/C20H19NO/c1-21-14-18(12-16-8-4-2-5-9-16)20(22)19(15-21)13-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b18-12-,19-13+
InChIKeyGHSYIDDDJZZVKM-MGYAYREDSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-3,5-bis[(4-benzoylphenyl)methylidene]-1-methylpiperidin-4-one
CID 134096311
4-[(Z)-[(5Z)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid
CID 92857571
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-methylpiperidin-4-one;hydrochloride
CID 5468195
(3E,5E)-1-methyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one
CID 2265242
(3Z,5E)-3,5-bis[(3-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 8833143
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
CID 92525029
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976
4-[(E)-[(5Z)-5-[(4-cyanophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzonitrile
CID 27112121
(3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride
CID 54602249
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 2427470
(3E,5E)-3-[(4-fluorophenyl)methylidene]-1-methyl-5-[(4-methylphenyl)methylidene]piperidin-4-one
CID 134814020
3,5-dibenzylidene-1-(2-phenylethyl)piperidin-4-one
CID 54220002

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one?
The IUPAC name of (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one (CID 6374106) is (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one.
What is the SMILES notation for (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one?
The canonical SMILES for (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one is CN1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1.
What is the InChIKey of (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one?
The InChIKey is GHSYIDDDJZZVKM-MGYAYREDSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-14-18(12-16-8-4-2-5-9-16)20(22)19(15-21)13-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b18-12-,19-13+.
What are the key properties of (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one?
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one is sourced from PubChem (CID 6374106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).