(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one

C28H37N3O — CID 2327710

IUPAC(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
SMILESCCN(CC)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1
InChIInChI=1S/C28H37N3O/c1-6-30(7-2)26-14-10-22(11-15-26)18-24-20-29(5)21-25(28(24)32)19-23-12-16-27(17-13-23)31(8-3)9-4/h10-19H,6-9,20-21H2,1-5H3/b24-18-,25-19-
InChIKeyCSZGWTIIEDCAOM-GJEUYDLNSA-N
MW431.62 g/mol
LogP5.36
Rot. Bonds8

About (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one

(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one (PubChem CID 2327710) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one.

Molecular Properties

Compound Name(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
PubChem CID2327710
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
SMILESCCN(CC)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1
InChIInChI=1S/C28H37N3O/c1-6-30(7-2)26-14-10-22(11-15-26)18-24-20-29(5)21-25(28(24)32)19-23-12-16-27(17-13-23)31(8-3)9-4/h10-19H,6-9,20-21H2,1-5H3/b24-18-,25-19-
InChIKeyCSZGWTIIEDCAOM-GJEUYDLNSA-N
XLogP5.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one with MolForge

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Related Compounds

3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-propylpiperidin-4-one
CID 54488176
2,6-bis[[4-(diethylamino)phenyl]methylidene]cyclohexan-1-one
CID 3385046
(2Z,6E)-2,6-bis[[4-(diethylamino)phenyl]methylidene]-4-methylcyclohexan-1-one
CID 2304864
(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
CID 20653368
(3Z,5E)-1-methyl-3,5-bis[(4-propylphenyl)methylidene]piperidin-4-one
CID 134096308
(3E)-3-[[4-(diethylamino)phenyl]methylidene]-1-propylpiperidin-4-one
CID 110538571
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-methylpiperidin-4-one;hydrochloride
CID 5468195
(2E,6E)-2-[[4-(diethylamino)phenyl]methylidene]-6-[[4-(4-fluorophenyl)phenyl]methylidene]cyclohexan-1-one
CID 127027866
(3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride
CID 54602249
4-[(Z)-[(5Z)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid
CID 92857571
4-[(E)-[(5Z)-5-[(4-cyanophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzonitrile
CID 27112121

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one?
The IUPAC name of (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one (CID 2327710) is (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one.
What is the SMILES notation for (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one?
The canonical SMILES for (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one is CCN(CC)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1.
What is the InChIKey of (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one?
The InChIKey is CSZGWTIIEDCAOM-GJEUYDLNSA-N. The full InChI is InChI=1S/C28H37N3O/c1-6-30(7-2)26-14-10-22(11-15-26)18-24-20-29(5)21-25(28(24)32)19-23-12-16-27(17-13-23)31(8-3)9-4/h10-19H,6-9,20-21H2,1-5H3/b24-18-,25-19-.
What are the key properties of (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one?
(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one has a molecular weight of 431.62 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one is sourced from PubChem (CID 2327710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).