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

C10H13N3O3 — CID 21234974

IUPAC5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CN2CCCCC2)C(=O)N1
InChIInChI=1S/C10H13N3O3/c14-8-7(9(15)12-10(16)11-8)6-13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,14,15,16)
InChIKeyGIDOAGZIHFPQFI-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.28
Rot. Bonds1

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

5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 21234974) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID21234974
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CN2CCCCC2)C(=O)N1
InChIInChI=1S/C10H13N3O3/c14-8-7(9(15)12-10(16)11-8)6-13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,14,15,16)
InChIKeyGIDOAGZIHFPQFI-UHFFFAOYSA-N
XLogP-0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.28
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
CID 3428337
(5Z)-1-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 73254321
(5E)-1-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50874249
5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 944228
1-(4-bromophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1301129
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21212299
(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione
CID 101250553
1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3918951
(5E)-5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 91820818
5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 75137192
1-(cyclooctylidenemethyl)pyrrolidine
CID 12584847
5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126241866

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 21234974) is 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=CN2CCCCC2)C(=O)N1.
What is the InChIKey of 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is GIDOAGZIHFPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-7(9(15)12-10(16)11-8)6-13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,14,15,16).
What are the key properties of 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 223.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21234974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).