1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione

C17H21N3O4 — CID 9193558

IUPAC1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CN3CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-12-7-9-18(10-8-12)11-19-15(21)16(22)20(17(19)23)13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyWCWYJKNDPGKPCJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.68
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione

1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 9193558) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID9193558
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CN3CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-12-7-9-18(10-8-12)11-19-15(21)16(22)20(17(19)23)13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyWCWYJKNDPGKPCJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808
ethyl (3S)-1-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidine-3-carboxylate
CID 9193739
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888420
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
1-(4-methoxyphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7888586
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
methyl 1-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate
CID 9236291
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
1-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 9324892
1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557855
(4-tert-butylphenyl)methyl-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9244393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione (CID 9193558) is 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione is COc1ccc(N2C(=O)C(=O)N(CN3CCC(C)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is WCWYJKNDPGKPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-7-9-18(10-8-12)11-19-15(21)16(22)20(17(19)23)13-3-5-14(24-2)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione?
1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 331.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9193558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).