1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione

C22H26N2O2 — CID 64903675

IUPAC1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O2/c1-4-16(2)19-20(25)24(15-17-11-7-5-8-12-17)22(3,21(26)23-19)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3,(H,23,26)
InChIKeyZWPFHVXPPROTPQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.48
Rot. Bonds5

About 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione

1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 64903675) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
PubChem CID64903675
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O2/c1-4-16(2)19-20(25)24(15-17-11-7-5-8-12-17)22(3,21(26)23-19)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3,(H,23,26)
InChIKeyZWPFHVXPPROTPQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione with MolForge

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Related Compounds

1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 80697567
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902453
1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 106440626
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
5-methyl-1-(4-methylpentyl)-5-phenylimidazolidine-2,4-dione
CID 83169332
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64902315
3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107902215
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716
3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888864

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione (CID 64903675) is 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C)(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is ZWPFHVXPPROTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-16(2)19-20(25)24(15-17-11-7-5-8-12-17)22(3,21(26)23-19)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione?
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 350.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64903675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).