4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione

C16H20N2O3 — CID 66061337

IUPAC4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-10-14(20)17-13(19)9-18(10)15(21)11-5-7-12(8-6-11)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19,20)
InChIKeyUGCUJOIHCIIGHN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds1

About 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione

4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66061337) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
PubChem CID66061337
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-10-14(20)17-13(19)9-18(10)15(21)11-5-7-12(8-6-11)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19,20)
InChIKeyUGCUJOIHCIIGHN-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione (CID 66061337) is 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is UGCUJOIHCIIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-14(20)17-13(19)9-18(10)15(21)11-5-7-12(8-6-11)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19,20).
What are the key properties of 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione?
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).