(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one

C21H19NO2 — CID 92525029

IUPAC(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
SMILESCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1
InChIInChI=1S/C21H19NO2/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3/b19-12-,20-13-
InChIKeySEWXXLFUDNZPAF-YXZJEIOKSA-N
MW317.39 g/mol
LogP3.58
Rot. Bonds2

About (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one

(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one (PubChem CID 92525029) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one.

Molecular Properties

Compound Name(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
PubChem CID92525029
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
SMILESCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1
InChIInChI=1S/C21H19NO2/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3/b19-12-,20-13-
InChIKeySEWXXLFUDNZPAF-YXZJEIOKSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.58
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

1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
CID 67567619
1-acetyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one
CID 123323719
(3E,5E)-1-acetyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one
CID 129085544
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(3E,5E)-3,5-dibenzylidene-1-[3-[(3E,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carbonyl]benzoyl]piperidin-4-one
CID 70685306
(3E,5E)-3,5-dibenzylidene-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-one
CID 12046374
(3Z,5E)-1-acetyl-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 86580608
(3E,5E)-3,5-bis[(4-benzoylphenyl)methylidene]-1-methylpiperidin-4-one
CID 134096311
1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone
CID 24978376
(3Z,5E)-1-acetyl-3,5-bis[(3-methylthiophen-2-yl)methylidene]piperidin-4-one
CID 22306176
(3E,5E)-3,5-dibenzylidene-1-diethoxyphosphorylpiperidin-4-one
CID 52947928
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one?
The IUPAC name of (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one (CID 92525029) is (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one.
What is the SMILES notation for (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one?
The canonical SMILES for (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one is CC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1.
What is the InChIKey of (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one?
The InChIKey is SEWXXLFUDNZPAF-YXZJEIOKSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3/b19-12-,20-13-.
What are the key properties of (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one?
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one is sourced from PubChem (CID 92525029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).