4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione

C12H19N3O3 — CID 66063336

IUPAC4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CCC(N)CC1
InChIInChI=1S/C12H19N3O3/c1-7-11(17)14-10(16)6-15(7)12(18)8-2-4-9(13)5-3-8/h7-9H,2-6,13H2,1H3,(H,14,16,17)
InChIKeyNZIUDCDHHHTAIM-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.62
Rot. Bonds1

About 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione

4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66063336) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66063336
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1CCC(N)CC1
InChIInChI=1S/C12H19N3O3/c1-7-11(17)14-10(16)6-15(7)12(18)8-2-4-9(13)5-3-8/h7-9H,2-6,13H2,1H3,(H,14,16,17)
InChIKeyNZIUDCDHHHTAIM-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione (CID 66063336) is 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is NZIUDCDHHHTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-11(17)14-10(16)6-15(7)12(18)8-2-4-9(13)5-3-8/h7-9H,2-6,13H2,1H3,(H,14,16,17).
What are the key properties of 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione?
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 253.30 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).