(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one

C25H29NO5 — CID 92899824

IUPAC(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
SMILESCCN1C/C(=C/c2ccc(OC)c(OC)c2)C(=O)/C(=C\c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C25H29NO5/c1-6-26-15-19(11-17-7-9-21(28-2)23(13-17)30-4)25(27)20(16-26)12-18-8-10-22(29-3)24(14-18)31-5/h7-14H,6,15-16H2,1-5H3/b19-11-,20-12-
InChIKeySYNCWLVIOGZJCG-YZLQMOBTSA-N
MW423.51 g/mol
LogP4.09
Rot. Bonds7

About (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one

(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one (PubChem CID 92899824) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one.

Molecular Properties

Compound Name(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
PubChem CID92899824
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
SMILESCCN1C/C(=C/c2ccc(OC)c(OC)c2)C(=O)/C(=C\c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C25H29NO5/c1-6-26-15-19(11-17-7-9-21(28-2)23(13-17)30-4)25(27)20(16-26)12-18-8-10-22(29-3)24(14-18)31-5/h7-14H,6,15-16H2,1-5H3/b19-11-,20-12-
InChIKeySYNCWLVIOGZJCG-YZLQMOBTSA-N
XLogP4.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-4-oxopiperidin-1-yl]propanoate
CID 51134282
1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one;hydrochloride
CID 73243048
3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-phenylpiperidin-4-one
CID 155654046
(3E,5E)-3-[(3,4-dimethoxyphenyl)methylidene]-5-[[4-(hydroxymethyl)-3-methoxyphenyl]methylidene]-1-phenylpiperidin-4-one
CID 155654057
(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one
CID 110534738
(2E,6E)-2,6-bis[(3-methoxy-4-propoxyphenyl)methylidene]-4-methylcyclohexan-1-one
CID 19616429
(3E,5E)-3,5-bis[(3-bromo-4-methoxyphenyl)methylidene]-1-methylpiperidin-4-one
CID 46505742
(3E,5E)-1-(benzenecarbonothioyl)-3,5-bis[(3-methoxy-4-propoxyphenyl)methylidene]piperidin-4-one
CID 155530851
5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one
CID 1300226
(2Z,5E)-2,5-bis[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]cyclopentan-1-one
CID 19577762
(3E)-3-[(3-methoxy-4-nonoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 110532361
(3Z,5E)-1-acetyl-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 86580608

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one?
The IUPAC name of (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one (CID 92899824) is (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one.
What is the SMILES notation for (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one?
The canonical SMILES for (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one is CCN1C/C(=C/c2ccc(OC)c(OC)c2)C(=O)/C(=C\c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one?
The InChIKey is SYNCWLVIOGZJCG-YZLQMOBTSA-N. The full InChI is InChI=1S/C25H29NO5/c1-6-26-15-19(11-17-7-9-21(28-2)23(13-17)30-4)25(27)20(16-26)12-18-8-10-22(29-3)24(14-18)31-5/h7-14H,6,15-16H2,1-5H3/b19-11-,20-12-.
What are the key properties of (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one?
(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one has a molecular weight of 423.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one is sourced from PubChem (CID 92899824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).