2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide

C25H28N4O4 — CID 126247998

IUPAC2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C25H28N4O4/c1-17-8-4-5-9-20(17)26-23(30)16-29-24(31)21(27-25(29)32)14-18-10-11-19(15-22(18)33-2)28-12-6-3-7-13-28/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,30)(H,27,32)/b21-14-
InChIKeyYTDBJJOTYDPNPU-STZFKDTASA-N
MW448.52 g/mol
LogP3.53
Rot. Bonds6

About 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide

2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 126247998) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID126247998
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C25H28N4O4/c1-17-8-4-5-9-20(17)26-23(30)16-29-24(31)21(27-25(29)32)14-18-10-11-19(15-22(18)33-2)28-12-6-3-7-13-28/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,30)(H,27,32)/b21-14-
InChIKeyYTDBJJOTYDPNPU-STZFKDTASA-N
XLogP3.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 46499448
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50866260
(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126251414
2-[(4E)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859
methyl 2-[4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3292515
N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50853662
N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126249487
2-[(4E)-4-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126240189
N-(3-fluorophenyl)-2-[(5E)-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126249691

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 126247998) is 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide is COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O.
What is the InChIKey of 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is YTDBJJOTYDPNPU-STZFKDTASA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-8-4-5-9-20(17)26-23(30)16-29-24(31)21(27-25(29)32)14-18-10-11-19(15-22(18)33-2)28-12-6-3-7-13-28/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,30)(H,27,32)/b21-14-.
What are the key properties of 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126247998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).