2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione

C16H19N3O2 — CID 139214607

IUPAC2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCC(Cc3ccccc3)CC2)=N1
InChIInChI=1S/C16H19N3O2/c20-14-11-15(21)18-16(17-14)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18,20,21)
InChIKeyZNNFWUBYVJLGEN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione

2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione (PubChem CID 139214607) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione
PubChem CID139214607
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCC(Cc3ccccc3)CC2)=N1
InChIInChI=1S/C16H19N3O2/c20-14-11-15(21)18-16(17-14)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18,20,21)
InChIKeyZNNFWUBYVJLGEN-UHFFFAOYSA-N
XLogP1.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione (CID 139214607) is 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione is O=C1CC(=O)NC(N2CCC(Cc3ccccc3)CC2)=N1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is ZNNFWUBYVJLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-11-15(21)18-16(17-14)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18,20,21).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione?
2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 285.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 139214607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).