(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one

C22H23NO — CID 2427470

IUPAC(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
SMILESCc1ccccc1/C=C1/CN(C)C/C(=C/c2ccccc2C)C1=O
InChIInChI=1S/C22H23NO/c1-16-8-4-6-10-18(16)12-20-14-23(3)15-21(22(20)24)13-19-11-7-5-9-17(19)2/h4-13H,14-15H2,1-3H3/b20-12-,21-13-
InChIKeyUIVIGAYSWQMFGB-FDYZEBBJSA-N
MW317.43 g/mol
LogP4.28
Rot. Bonds2

About (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one

(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one (PubChem CID 2427470) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
PubChem CID2427470
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
SMILESCc1ccccc1/C=C1/CN(C)C/C(=C/c2ccccc2C)C1=O
InChIInChI=1S/C22H23NO/c1-16-8-4-6-10-18(16)12-20-14-23(3)15-21(22(20)24)13-19-11-7-5-9-17(19)2/h4-13H,14-15H2,1-3H3/b20-12-,21-13-
InChIKeyUIVIGAYSWQMFGB-FDYZEBBJSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.28
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-ethyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 1283569
3,5-bis[(2-chlorophenyl)methylidene]-1-methylpiperidin-4-one
CID 1109367
3,5-bis[(2,4-dimethylphenyl)methylidene]-1-methylpiperidin-4-one
CID 3872837
(3Z,5Z)-3,5-bis[(2-methylphenyl)methylidene]thian-4-one
CID 15567512
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 5468197
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-1-ium-4-one
CID 2427469
1-methyl-3,5-bis[(3-methyl-1-phenylpyrazol-4-yl)methylidene]piperidin-4-one
CID 3470720
(3Z)-1-methyl-3,5-bis[(3-methyl-1-phenylpyrazol-4-yl)methylidene]piperidin-4-one
CID 2309842
(3E,5E)-3,5-bis[(4-benzoylphenyl)methylidene]-1-methylpiperidin-4-one
CID 134096311
(3E,5E)-1-methyl-3,5-bis[(3-methylthiophen-2-yl)methylidene]piperidin-4-one;hydrate
CID 139076385
(3E,5E)-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1-methylpiperidin-4-one
CID 11394793

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one?
The IUPAC name of (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one (CID 2427470) is (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one.
What is the SMILES notation for (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one?
The canonical SMILES for (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one is Cc1ccccc1/C=C1/CN(C)C/C(=C/c2ccccc2C)C1=O.
What is the InChIKey of (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one?
The InChIKey is UIVIGAYSWQMFGB-FDYZEBBJSA-N. The full InChI is InChI=1S/C22H23NO/c1-16-8-4-6-10-18(16)12-20-14-23(3)15-21(22(20)24)13-19-11-7-5-9-17(19)2/h4-13H,14-15H2,1-3H3/b20-12-,21-13-.
What are the key properties of (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one?
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one has a molecular weight of 317.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 2427470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).