3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C19H22N6O3 — CID 136554810

IUPAC3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)CN(CC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1=O
InChIInChI=1S/C19H22N6O3/c1-23-15(26)11-25(19(23)28)12-16(27)24-9-7-14(8-10-24)18-20-17(21-22-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21,22)
InChIKeyVNKCKJYLCFICOU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.07
Rot. Bonds4

About 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 136554810) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID136554810
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)CN(CC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1=O
InChIInChI=1S/C19H22N6O3/c1-23-15(26)11-25(19(23)28)12-16(27)24-9-7-14(8-10-24)18-20-17(21-22-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21,22)
InChIKeyVNKCKJYLCFICOU-UHFFFAOYSA-N
XLogP1.07
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-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

Related Compounds

3-(1,3-benzothiazol-2-yl)-1-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 51131819
3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
CID 47092221
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609
(3,5-dimethoxyphenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 50958481
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95157984
5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 136522646
[4-(aminomethyl)oxan-4-yl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120929640
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
2-(2,3-dihydrobenzimidazol-1-yl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 123187322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 136554810) is 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is CN1C(=O)CN(CC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is VNKCKJYLCFICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-23-15(26)11-25(19(23)28)12-16(27)24-9-7-14(8-10-24)18-20-17(21-22-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21,22).
What are the key properties of 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 136554810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).