3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione

C17H24N2O2 — CID 64957262

IUPAC3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(CC)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-9-12(3)19-15(13-10-7-6-8-11-13)16(20)18-14(5-2)17(19)21/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyCEZAPAVUVLSRGQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds5

About 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione

3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione (PubChem CID 64957262) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione
PubChem CID64957262
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(CC)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-9-12(3)19-15(13-10-7-6-8-11-13)16(20)18-14(5-2)17(19)21/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyCEZAPAVUVLSRGQ-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-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 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione (CID 64957262) is 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione is CCCC(C)N1C(=O)C(CC)NC(=O)C1c1ccccc1.
What is the InChIKey of 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione?
The InChIKey is CEZAPAVUVLSRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-12(3)19-15(13-10-7-6-8-11-13)16(20)18-14(5-2)17(19)21/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione?
3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64957262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).