5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione

C17H26N6O3 — CID 56707287

IUPAC5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CCCn3cncn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H26N6O3/c1-2-7-17(15(25)20-16(26)21-17)13-5-9-22(10-6-13)14(24)4-3-8-23-12-18-11-19-23/h11-13H,2-10H2,1H3,(H2,20,21,25,26)
InChIKeyOGLWLVLWOOBLTO-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.68
Rot. Bonds7

About 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione

5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 56707287) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID56707287
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CCCn3cncn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H26N6O3/c1-2-7-17(15(25)20-16(26)21-17)13-5-9-22(10-6-13)14(24)4-3-8-23-12-18-11-19-23/h11-13H,2-10H2,1H3,(H2,20,21,25,26)
InChIKeyOGLWLVLWOOBLTO-UHFFFAOYSA-N
XLogP0.68
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 56707287) is 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)CCCn3cncn3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is OGLWLVLWOOBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-2-7-17(15(25)20-16(26)21-17)13-5-9-22(10-6-13)14(24)4-3-8-23-12-18-11-19-23/h11-13H,2-10H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-5-[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 56707287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).