(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione

C17H19N5O4 — CID 96575753

IUPAC(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)N1
InChIInChI=1S/C17H19N5O4/c23-13(9-12-14(24)20-16(26)19-12)22-7-5-17(6-8-22)15(25)18-10-3-1-2-4-11(10)21-17/h1-4,12,21H,5-9H2,(H,18,25)(H2,19,20,24,26)/t12-/m1/s1
InChIKeyKPRVBEMADGFCAY-GFCCVEGCSA-N
MW357.37 g/mol
LogP0.01
Rot. Bonds2

About (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione

(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 96575753) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
PubChem CID96575753
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)N1
InChIInChI=1S/C17H19N5O4/c23-13(9-12-14(24)20-16(26)19-12)22-7-5-17(6-8-22)15(25)18-10-3-1-2-4-11(10)21-17/h1-4,12,21H,5-9H2,(H,18,25)(H2,19,20,24,26)/t12-/m1/s1
InChIKeyKPRVBEMADGFCAY-GFCCVEGCSA-N
XLogP0.01
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione (CID 96575753) is (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)N1.
What is the InChIKey of (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is KPRVBEMADGFCAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-13(9-12-14(24)20-16(26)19-12)22-7-5-17(6-8-22)15(25)18-10-3-1-2-4-11(10)21-17/h1-4,12,21H,5-9H2,(H,18,25)(H2,19,20,24,26)/t12-/m1/s1.
What are the key properties of (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 357.37 g/mol, XLogP of 0.01, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 96575753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).