4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione

C12H16N4O3 — CID 66074983

IUPAC4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CCn1ccnc1
InChIInChI=1S/C12H16N4O3/c1-12(2)11(19)14-9(17)7-16(12)10(18)3-5-15-6-4-13-8-15/h4,6,8H,3,5,7H2,1-2H3,(H,14,17,19)
InChIKeyWRTAANLNYYJCFZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.46
Rot. Bonds3

About 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074983) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074983
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CCn1ccnc1
InChIInChI=1S/C12H16N4O3/c1-12(2)11(19)14-9(17)7-16(12)10(18)3-5-15-6-4-13-8-15/h4,6,8H,3,5,7H2,1-2H3,(H,14,17,19)
InChIKeyWRTAANLNYYJCFZ-UHFFFAOYSA-N
XLogP-0.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione (CID 66074983) is 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)CCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is WRTAANLNYYJCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2)11(19)14-9(17)7-16(12)10(18)3-5-15-6-4-13-8-15/h4,6,8H,3,5,7H2,1-2H3,(H,14,17,19).
What are the key properties of 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).