1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 65462288

IUPAC1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(C)C(=O)NC(c2ccccc2)C(=O)N1CC1CCC1
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)18-14(13-9-4-3-5-10-13)15(20)19(17)11-12-7-6-8-12/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,18,21)
InChIKeyQMBHDNJFXNEZJS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds3

About 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione

1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 65462288) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione
PubChem CID65462288
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(C)C(=O)NC(c2ccccc2)C(=O)N1CC1CCC1
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)18-14(13-9-4-3-5-10-13)15(20)19(17)11-12-7-6-8-12/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,18,21)
InChIKeyQMBHDNJFXNEZJS-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclobutylmethyl)-6,6-dimethyl-3-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 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione (CID 65462288) is 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione is CC1(C)C(=O)NC(c2ccccc2)C(=O)N1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is QMBHDNJFXNEZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)16(21)18-14(13-9-4-3-5-10-13)15(20)19(17)11-12-7-6-8-12/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,18,21).
What are the key properties of 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione?
1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 65462288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).