3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

C24H27N3O3 — CID 4544177

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCC1CC(C)CN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1
InChIInChI=1S/C24H27N3O3/c1-17-13-18(2)15-26(14-17)21(28)16-27-22(29)24(25-23(27)30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,25,30)
InChIKeyZNRSVWRYFVTMFY-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.99
Rot. Bonds4

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 4544177) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID4544177
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCC1CC(C)CN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1
InChIInChI=1S/C24H27N3O3/c1-17-13-18(2)15-26(14-17)21(28)16-27-22(29)24(25-23(27)30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,25,30)
InChIKeyZNRSVWRYFVTMFY-UHFFFAOYSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 4544177) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione is CC1CC(C)CN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is ZNRSVWRYFVTMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-13-18(2)15-26(14-17)21(28)16-27-22(29)24(25-23(27)30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,25,30).
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 4544177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).