3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H20N4O3 — CID 56821439

IUPAC3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H20N4O3/c23-16-10-19-18(25)22(16)11-17(24)21-7-5-12(6-8-21)15-9-13-3-1-2-4-14(13)20-15/h1-4,9,12,20H,5-8,10-11H2,(H,19,25)
InChIKeyCLURHGKOURKHDC-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.43
Rot. Bonds3

About 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56821439) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56821439
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H20N4O3/c23-16-10-19-18(25)22(16)11-17(24)21-7-5-12(6-8-21)15-9-13-3-1-2-4-14(13)20-15/h1-4,9,12,20H,5-8,10-11H2,(H,19,25)
InChIKeyCLURHGKOURKHDC-UHFFFAOYSA-N
XLogP1.43
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.43
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 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 56821439) is 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is CLURHGKOURKHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16-10-19-18(25)22(16)11-17(24)21-7-5-12(6-8-21)15-9-13-3-1-2-4-14(13)20-15/h1-4,9,12,20H,5-8,10-11H2,(H,19,25).
What are the key properties of 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56821439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).