5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C16H17N3O3 — CID 21212299

IUPAC5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-13(15(21)18-16(22)17-14)10-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H2,17,18,20,21,22)
InChIKeyCFADYLQGZUJZIU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.43
Rot. Bonds2

About 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 21212299) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID21212299
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-13(15(21)18-16(22)17-14)10-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H2,17,18,20,21,22)
InChIKeyCFADYLQGZUJZIU-UHFFFAOYSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 21212299) is 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is CFADYLQGZUJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14-13(15(21)18-16(22)17-14)10-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H2,17,18,20,21,22).
What are the key properties of 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 299.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21212299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).