1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C21H27N3O4 — CID 2574711

IUPAC1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C21H27N3O4/c1-15(2)13-23-19(26)20(27)24(21(23)28)14-18(25)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyHBYKIJMXRFWIDY-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 2574711) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID2574711
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C21H27N3O4/c1-15(2)13-23-19(26)20(27)24(21(23)28)14-18(25)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyHBYKIJMXRFWIDY-UHFFFAOYSA-N
XLogP1.91
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 2574711) is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is HBYKIJMXRFWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15(2)13-23-19(26)20(27)24(21(23)28)14-18(25)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 385.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2574711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).