4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione

C12H17N3O3 — CID 66074655

IUPAC4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CC2CCC1N2
InChIInChI=1S/C12H17N3O3/c1-6-11(17)14-10(16)5-15(6)12(18)8-4-7-2-3-9(8)13-7/h6-9,13H,2-5H2,1H3,(H,14,16,17)
InChIKeyPNTLDYFTTURXBB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.00
Rot. Bonds1

About 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione

4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66074655) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66074655
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CC2CCC1N2
InChIInChI=1S/C12H17N3O3/c1-6-11(17)14-10(16)5-15(6)12(18)8-4-7-2-3-9(8)13-7/h6-9,13H,2-5H2,1H3,(H,14,16,17)
InChIKeyPNTLDYFTTURXBB-UHFFFAOYSA-N
XLogP-1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
CID 79615830
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336
4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66237316
3-methyl-4-(thiane-2-carbonyl)piperazine-2,6-dione
CID 80595992
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
CID 79207069
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-methyl-4-(1-methylsulfonylpiperidine-4-carbonyl)piperazine-2,6-dione
CID 66060961
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66074655) is 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1CC2CCC1N2.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is PNTLDYFTTURXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-6-11(17)14-10(16)5-15(6)12(18)8-4-7-2-3-9(8)13-7/h6-9,13H,2-5H2,1H3,(H,14,16,17).
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66074655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).