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

C12H18N4O3 — CID 7367811

IUPAC5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCN2CCCCC2)C(=O)N1
InChIInChI=1S/C12H18N4O3/c17-10-9(11(18)15-12(19)14-10)8-13-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H2,14,15,17,18,19)/b13-8+
InChIKeySUPCFTGOSYFMSA-MDWZMJQESA-N
MW266.30 g/mol
LogP-0.47
Rot. Bonds4

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

5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7367811) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7367811
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCN2CCCCC2)C(=O)N1
InChIInChI=1S/C12H18N4O3/c17-10-9(11(18)15-12(19)14-10)8-13-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H2,14,15,17,18,19)/b13-8+
InChIKeySUPCFTGOSYFMSA-MDWZMJQESA-N
XLogP-0.47
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7367811) is 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=N/CCN2CCCCC2)C(=O)N1.
What is the InChIKey of 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is SUPCFTGOSYFMSA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N4O3/c17-10-9(11(18)15-12(19)14-10)8-13-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H2,14,15,17,18,19)/b13-8+.
What are the key properties of 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 266.30 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).