5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione

C15H17N3O2 — CID 79502730

IUPAC5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C1c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-14-12(10-6-2-1-3-7-10)15(20)18-13(17-14)11-8-4-5-9-16-11/h1-3,6-7,11-12,16H,4-5,8-9H2,(H,17,18,19,20)
InChIKeyYEVICMVJLJJNIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.97
Rot. Bonds2

About 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione

5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79502730) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79502730
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C1c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-14-12(10-6-2-1-3-7-10)15(20)18-13(17-14)11-8-4-5-9-16-11/h1-3,6-7,11-12,16H,4-5,8-9H2,(H,17,18,19,20)
InChIKeyYEVICMVJLJJNIL-UHFFFAOYSA-N
XLogP0.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (CID 79502730) is 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is O=C1N=C(C2CCCCN2)NC(=O)C1c1ccccc1.
What is the InChIKey of 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is YEVICMVJLJJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14-12(10-6-2-1-3-7-10)15(20)18-13(17-14)11-8-4-5-9-16-11/h1-3,6-7,11-12,16H,4-5,8-9H2,(H,17,18,19,20).
What are the key properties of 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 271.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).