5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione

C20H28N4O3 — CID 119395359

IUPAC5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCNCC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)C1
InChIInChI=1S/C20H28N4O3/c1-14-6-8-16(9-7-14)20(2)18(26)24(19(27)22-20)13-17(25)23-10-4-5-15(12-23)11-21-3/h6-9,15,21H,4-5,10-13H2,1-3H3,(H,22,27)
InChIKeyYMUDWQZTFOJHJV-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.22
Rot. Bonds5

About 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione

5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 119395359) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID119395359
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCNCC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)C1
InChIInChI=1S/C20H28N4O3/c1-14-6-8-16(9-7-14)20(2)18(26)24(19(27)22-20)13-17(25)23-10-4-5-15(12-23)11-21-3/h6-9,15,21H,4-5,10-13H2,1-3H3,(H,22,27)
InChIKeyYMUDWQZTFOJHJV-UHFFFAOYSA-N
XLogP1.22
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119398834
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 119395261
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699
3-[3-[(3S)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124686592
3-[3-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124688347
5-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 112791409
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
(5S)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178688

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 119395359) is 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione is CNCC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)C1.
What is the InChIKey of 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is YMUDWQZTFOJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-6-8-16(9-7-14)20(2)18(26)24(19(27)22-20)13-17(25)23-10-4-5-15(12-23)11-21-3/h6-9,15,21H,4-5,10-13H2,1-3H3,(H,22,27).
What are the key properties of 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione?
5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 119395359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).