5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione

C21H25N5O2 — CID 56710057

IUPAC5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cnccn1
InChIInChI=1S/C21H25N5O2/c27-19-21(17-7-10-22-11-8-17,9-6-16-4-2-1-3-5-16)25-20(28)26(19)15-18-14-23-12-13-24-18/h1-5,12-14,17,22H,6-11,15H2,(H,25,28)
InChIKeyPIJXNAHEHNKUPP-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.90
Rot. Bonds6

About 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione

5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 56710057) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID56710057
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cnccn1
InChIInChI=1S/C21H25N5O2/c27-19-21(17-7-10-22-11-8-17,9-6-16-4-2-1-3-5-16)25-20(28)26(19)15-18-14-23-12-13-24-18/h1-5,12-14,17,22H,6-11,15H2,(H,25,28)
InChIKeyPIJXNAHEHNKUPP-UHFFFAOYSA-N
XLogP1.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
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 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione (CID 56710057) is 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione is O=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cnccn1.
What is the InChIKey of 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is PIJXNAHEHNKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19-21(17-7-10-22-11-8-17,9-6-16-4-2-1-3-5-16)25-20(28)26(19)15-18-14-23-12-13-24-18/h1-5,12-14,17,22H,6-11,15H2,(H,25,28).
What are the key properties of 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione?
5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56710057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).