3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione

C17H30N2O2 — CID 65460488

IUPAC3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)(CC)N(CC2CCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-12(4)14-15(20)19(11-13-9-8-10-13)17(6-2,7-3)16(21)18-14/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyILPMXKMKRKBZPC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione

3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione (PubChem CID 65460488) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
PubChem CID65460488
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)(CC)N(CC2CCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-12(4)14-15(20)19(11-13-9-8-10-13)17(6-2,7-3)16(21)18-14/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyILPMXKMKRKBZPC-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione (CID 65460488) is 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)(CC)N(CC2CCC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione?
The InChIKey is ILPMXKMKRKBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-12(4)14-15(20)19(11-13-9-8-10-13)17(6-2,7-3)16(21)18-14/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione?
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 65460488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).