5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione

C10H18N4O3+2 — CID 7393074

IUPAC5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESC[NH+]1CC[NH+](CC2C(=O)NC(=O)NC2=O)CC1
InChIInChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)6-7-8(15)11-10(17)12-9(7)16/h7H,2-6H2,1H3,(H2,11,12,15,16,17)/p+2
InChIKeyGUWDDZAUSUURIU-UHFFFAOYSA-P
MW242.28 g/mol
LogP-4.62
Rot. Bonds2

About 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione

5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7393074) has the molecular formula C10H18N4O3+2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID7393074
Molecular FormulaC10H18N4O3+2
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESC[NH+]1CC[NH+](CC2C(=O)NC(=O)NC2=O)CC1
InChIInChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)6-7-8(15)11-10(17)12-9(7)16/h7H,2-6H2,1H3,(H2,11,12,15,16,17)/p+2
InChIKeyGUWDDZAUSUURIU-UHFFFAOYSA-P
XLogP-4.62
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-4.62
H-Bond Donors ≤ 54
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 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 7393074) is 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione is C[NH+]1CC[NH+](CC2C(=O)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is GUWDDZAUSUURIU-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)6-7-8(15)11-10(17)12-9(7)16/h7H,2-6H2,1H3,(H2,11,12,15,16,17)/p+2.
What are the key properties of 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 242.28 g/mol, XLogP of -4.62, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7393074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).