(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

C33H36N2O4 — CID 108677721

IUPAC(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C33H36N2O4/c1-33(2,3)26-21-23(13-18-27(26)39-4)30(36)28-29(22-11-7-5-8-12-22)35(32(38)31(28)37)25-16-14-24(15-17-25)34-19-9-6-10-20-34/h5,7-8,11-18,21,29,36H,6,9-10,19-20H2,1-4H3/b30-28-
InChIKeyHFFUKNDPGYQFSA-HYOGKJQXSA-N
MW524.66 g/mol
LogP6.61
Rot. Bonds5

About (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 108677721) has the molecular formula C33H36N2O4 and a molecular weight of 524.66 g/mol. Its IUPAC name is (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione
PubChem CID108677721
Molecular FormulaC33H36N2O4
Molecular Weight524.66 g/mol
Exact Mass524.27
IUPAC Name(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C33H36N2O4/c1-33(2,3)26-21-23(13-18-27(26)39-4)30(36)28-29(22-11-7-5-8-12-22)35(32(38)31(28)37)25-16-14-24(15-17-25)34-19-9-6-10-20-34/h5,7-8,11-18,21,29,36H,6,9-10,19-20H2,1-4H3/b30-28-
InChIKeyHFFUKNDPGYQFSA-HYOGKJQXSA-N
XLogP6.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione 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

(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione
CID 108638077
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-(3-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,3-dione
CID 108713208
(4Z)-4-[(3-tert-butyl-4-ethoxyphenyl)-hydroxymethylidene]-1-(4-piperidin-1-ylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108673798
(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione
CID 108677764
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-1-(4-tert-butylphenyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108666254
(4Z)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(4-piperidin-1-ylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108673862
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-1,5-bis(4-ethoxyphenyl)pyrrolidine-2,3-dione
CID 108674851
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,3-dione
CID 108685433
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-1-(2,4-dimethylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 108639356
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-1-(3-chloro-4-methylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593765
2-[4-[(3Z)-3-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 108665739
methyl 4-[(3Z)-3-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-2-[4-(dimethylamino)phenyl]-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108706018

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione (CID 108677721) is (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione is COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione?
The InChIKey is HFFUKNDPGYQFSA-HYOGKJQXSA-N. The full InChI is InChI=1S/C33H36N2O4/c1-33(2,3)26-21-23(13-18-27(26)39-4)30(36)28-29(22-11-7-5-8-12-22)35(32(38)31(28)37)25-16-14-24(15-17-25)34-19-9-6-10-20-34/h5,7-8,11-18,21,29,36H,6,9-10,19-20H2,1-4H3/b30-28-.
What are the key properties of (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione?
(4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 524.66 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108677721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).