4-benzyl-1-butylpiperazine-2,6-dione

C15H20N2O2 — CID 58822020

IUPAC4-benzyl-1-butylpiperazine-2,6-dione
SMILESCCCCN1C(=O)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O2/c1-2-3-9-17-14(18)11-16(12-15(17)19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyVBVHOXDOHRNJQY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds5

About 4-benzyl-1-butylpiperazine-2,6-dione

4-benzyl-1-butylpiperazine-2,6-dione (PubChem CID 58822020) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-benzyl-1-butylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-benzyl-1-butylpiperazine-2,6-dione
PubChem CID58822020
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-benzyl-1-butylpiperazine-2,6-dione
SMILESCCCCN1C(=O)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O2/c1-2-3-9-17-14(18)11-16(12-15(17)19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyVBVHOXDOHRNJQY-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-butylpiperazine;ethane
CID 90954358
(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
CID 30635283
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
1-benzyl-4-heptylpiperazine
CID 22088087
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618
1-benzylpiperidin-4-one;butane
CID 70571840
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
(4Z)-1-benzyl-4-(3-butyl-1,3-benzothiazol-2-ylidene)piperidin-3-one
CID 6481061
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-butylpiperazine-2,6-dione?
The IUPAC name of 4-benzyl-1-butylpiperazine-2,6-dione (CID 58822020) is 4-benzyl-1-butylpiperazine-2,6-dione.
What is the SMILES notation for 4-benzyl-1-butylpiperazine-2,6-dione?
The canonical SMILES for 4-benzyl-1-butylpiperazine-2,6-dione is CCCCN1C(=O)CN(Cc2ccccc2)CC1=O.
What is the InChIKey of 4-benzyl-1-butylpiperazine-2,6-dione?
The InChIKey is VBVHOXDOHRNJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-9-17-14(18)11-16(12-15(17)19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of 4-benzyl-1-butylpiperazine-2,6-dione?
4-benzyl-1-butylpiperazine-2,6-dione has a molecular weight of 260.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-butylpiperazine-2,6-dione is sourced from PubChem (CID 58822020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).