1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone

C14H20N4O4 — CID 10686241

IUPAC1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone
SMILESO=C1C(=O)N2CCCN3CCN(CCCN1CC2)C(=O)C3=O
InChIInChI=1S/C14H20N4O4/c19-11-13(21)17-5-2-6-18-10-8-16(12(20)14(18)22)4-1-3-15(11)7-9-17/h1-10H2
InChIKeyRULBVYWVKLGQDJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.88
Rot. Bonds

About 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone

1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone (PubChem CID 10686241) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone.

Molecular Properties

Compound Name1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone
PubChem CID10686241
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone
SMILESO=C1C(=O)N2CCCN3CCN(CCCN1CC2)C(=O)C3=O
InChIInChI=1S/C14H20N4O4/c19-11-13(21)17-5-2-6-18-10-8-16(12(20)14(18)22)4-1-3-15(11)7-9-17/h1-10H2
InChIKeyRULBVYWVKLGQDJ-UHFFFAOYSA-N
XLogP-1.88
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone with MolForge

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Related Compounds

Icrf 158
CID 97592
1-(Piperidinoacetyl)piperidine
CID 12424322
1,3-Propanedione, 1,3-bis(4-methyl-1-piperazinyl)-
CID 3049776
1-[3-(2,6-Dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 137632573
1,2-Bis(4-methyl-3,5-dioxopiperazin-1-YL)propane, (R)-
CID 126086
1,2-Bis(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 515617
Oxalyl-bis-piperidine
CID 12832643
4,4'-Propane-1,3-diyldipiperazine-2,6-dione
CID 88893
Piperazine-2,5-dione, 1,4-dimethyl-3-(4-methyl-3-piperazinyl)methyl-
CID 574632
5,8-Dipropyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane-13,14-dione
CID 10712077
1-Methyl-4-[2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 10108597
1-methyl-4-[(2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 16722850

Frequently Asked Questions

What is the IUPAC name of 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone?
The IUPAC name of 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone (CID 10686241) is 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone.
What is the SMILES notation for 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone?
The canonical SMILES for 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone is O=C1C(=O)N2CCCN3CCN(CCCN1CC2)C(=O)C3=O.
What is the InChIKey of 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone?
The InChIKey is RULBVYWVKLGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-13(21)17-5-2-6-18-10-8-16(12(20)14(18)22)4-1-3-15(11)7-9-17/h1-10H2.
What are the key properties of 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone?
1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone has a molecular weight of 308.34 g/mol, XLogP of -1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,12-tetrazatricyclo[10.2.2.25,8]octadecane-6,7,13,14-tetrone is sourced from PubChem (CID 10686241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).