3-benzyl-1-cyclobutylpiperazine-2,5-dione

C15H18N2O2 — CID 64969345

IUPAC3-benzyl-1-cyclobutylpiperazine-2,5-dione
SMILESO=C1CN(C2CCC2)C(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-17(12-7-4-8-12)15(19)13(16-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)
InChIKeyGOTIRBCRZMMEPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds3

About 3-benzyl-1-cyclobutylpiperazine-2,5-dione

3-benzyl-1-cyclobutylpiperazine-2,5-dione (PubChem CID 64969345) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-benzyl-1-cyclobutylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-cyclobutylpiperazine-2,5-dione
PubChem CID64969345
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-benzyl-1-cyclobutylpiperazine-2,5-dione
SMILESO=C1CN(C2CCC2)C(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-17(12-7-4-8-12)15(19)13(16-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)
InChIKeyGOTIRBCRZMMEPD-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394
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CID 83255145
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
(5S)-5-benzylpyrrolidine-2,4-dione
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CID 11781738
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
3-benzyl-1-butan-2-yl-7-methyl-1,4-diazepane-2,5-dione
CID 79445452
3-benzyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883140
3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
CID 79781955
3-benzyl-1-hex-5-ynylpiperazine-2,5-dione
CID 106210867

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclobutylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-1-cyclobutylpiperazine-2,5-dione (CID 64969345) is 3-benzyl-1-cyclobutylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-cyclobutylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-1-cyclobutylpiperazine-2,5-dione is O=C1CN(C2CCC2)C(=O)C(Cc2ccccc2)N1.
What is the InChIKey of 3-benzyl-1-cyclobutylpiperazine-2,5-dione?
The InChIKey is GOTIRBCRZMMEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-17(12-7-4-8-12)15(19)13(16-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18).
What are the key properties of 3-benzyl-1-cyclobutylpiperazine-2,5-dione?
3-benzyl-1-cyclobutylpiperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclobutylpiperazine-2,5-dione is sourced from PubChem (CID 64969345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).