5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione

C16H19N3O3 — CID 3050417

IUPAC5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CC2CCCCN2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H19N3O3/c20-13-16(11-6-2-1-3-7-11,14(21)19-15(22)18-13)10-12-8-4-5-9-17-12/h1-3,6-7,12,17H,4-5,8-10H2,(H2,18,19,20,21,22)
InChIKeyUGZAKKMLMJITLL-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.82
Rot. Bonds3

About 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione

5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3050417) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID3050417
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CC2CCCCN2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H19N3O3/c20-13-16(11-6-2-1-3-7-11,14(21)19-15(22)18-13)10-12-8-4-5-9-17-12/h1-3,6-7,12,17H,4-5,8-10H2,(H2,18,19,20,21,22)
InChIKeyUGZAKKMLMJITLL-UHFFFAOYSA-N
XLogP0.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 3050417) is 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(CC2CCCCN2)(c2ccccc2)C(=O)N1.
What is the InChIKey of 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UGZAKKMLMJITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-13-16(11-6-2-1-3-7-11,14(21)19-15(22)18-13)10-12-8-4-5-9-17-12/h1-3,6-7,12,17H,4-5,8-10H2,(H2,18,19,20,21,22).
What are the key properties of 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 301.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3050417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).