5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C17H20BrN3O3 — CID 24888271

IUPAC5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20BrN3O3/c1-17(15(23)19-16(24)20-17)10-14(22)21-8-6-12(7-9-21)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3,(H2,19,20,23,24)
InChIKeyBNGUBYDVCOCKOO-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.14
Rot. Bonds3

About 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24888271) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID24888271
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20BrN3O3/c1-17(15(23)19-16(24)20-17)10-14(22)21-8-6-12(7-9-21)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3,(H2,19,20,23,24)
InChIKeyBNGUBYDVCOCKOO-UHFFFAOYSA-N
XLogP2.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 24888271) is 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BNGUBYDVCOCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-17(15(23)19-16(24)20-17)10-14(22)21-8-6-12(7-9-21)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 394.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24888271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).