3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C20H27N3O3 — CID 25161714

IUPAC3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-3-20(2)18(25)23(19(26)21-20)14-17(24)22-11-9-16(10-12-22)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyRPZOYQJZCRGSGR-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.19
Rot. Bonds5

About 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 25161714) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID25161714
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-3-20(2)18(25)23(19(26)21-20)14-17(24)22-11-9-16(10-12-22)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyRPZOYQJZCRGSGR-UHFFFAOYSA-N
XLogP2.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.19
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-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 25161714) is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is RPZOYQJZCRGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-20(2)18(25)23(19(26)21-20)14-17(24)22-11-9-16(10-12-22)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,21,26).
What are the key properties of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 25161714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).