(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione

C23H29NO3 — CID 157477885

IUPAC(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
SMILESC=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+
InChIKeyJWPRQINPSOFXCC-LTGZKZEYSA-N
MW367.49 g/mol
LogP4.80
Rot. Bonds7

About (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione

(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione (PubChem CID 157477885) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione.

Molecular Properties

Compound Name(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
PubChem CID157477885
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
SMILESC=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+
InChIKeyJWPRQINPSOFXCC-LTGZKZEYSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The IUPAC name of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione (CID 157477885) is (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione.
What is the SMILES notation for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The canonical SMILES for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione is C=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The InChIKey is JWPRQINPSOFXCC-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+.
What are the key properties of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione has a molecular weight of 367.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione is sourced from PubChem (CID 157477885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).