3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C25H38N4O3 — CID 118756780

IUPAC3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC(C)CC(=O)N1CCC(C2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C25H38N4O3/c1-19(2)18-22(30)28-14-11-21(12-15-28)25(13-10-20-8-6-5-7-9-20)23(31)29(24(32)26-25)17-16-27(3)4/h5-9,19,21H,10-18H2,1-4H3,(H,26,32)
InChIKeyWUZXQAPZWRJQJL-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.76
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 118756780) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID118756780
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC(C)CC(=O)N1CCC(C2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C25H38N4O3/c1-19(2)18-22(30)28-14-11-21(12-15-28)25(13-10-20-8-6-5-7-9-20)23(31)29(24(32)26-25)17-16-27(3)4/h5-9,19,21H,10-18H2,1-4H3,(H,26,32)
InChIKeyWUZXQAPZWRJQJL-UHFFFAOYSA-N
XLogP2.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 118756780) is 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is CC(C)CC(=O)N1CCC(C2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is WUZXQAPZWRJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-19(2)18-22(30)28-14-11-21(12-15-28)25(13-10-20-8-6-5-7-9-20)23(31)29(24(32)26-25)17-16-27(3)4/h5-9,19,21H,10-18H2,1-4H3,(H,26,32).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 442.60 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 118756780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).