6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione

C15H23ClN2O2 — CID 106440789

IUPAC6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(7-16)8-18-12(15(2,3)4)13(19)17-11(14(18)20)10-5-6-10/h7,10-12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyXKKYQBSGENJFLM-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.28
Rot. Bonds3

About 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione

6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 106440789) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID106440789
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(7-16)8-18-12(15(2,3)4)13(19)17-11(14(18)20)10-5-6-10/h7,10-12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyXKKYQBSGENJFLM-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione (CID 106440789) is 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is XKKYQBSGENJFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-9(7-16)8-18-12(15(2,3)4)13(19)17-11(14(18)20)10-5-6-10/h7,10-12H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione?
6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 298.81 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 106440789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).