1-(cyclobutylmethyl)piperazine-2,5-dione

C9H14N2O2 — CID 64956054

IUPAC1-(cyclobutylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCC2)C(=O)CN1
InChIInChI=1S/C9H14N2O2/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-7/h7H,1-6H2,(H,10,12)
InChIKeyZBLOXGDWJNVQPN-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.26
Rot. Bonds2

About 1-(cyclobutylmethyl)piperazine-2,5-dione

1-(cyclobutylmethyl)piperazine-2,5-dione (PubChem CID 64956054) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)piperazine-2,5-dione
PubChem CID64956054
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(cyclobutylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCC2)C(=O)CN1
InChIInChI=1S/C9H14N2O2/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-7/h7H,1-6H2,(H,10,12)
InChIKeyZBLOXGDWJNVQPN-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(cyclobutylmethyl)piperazine-2,5-dione (CID 64956054) is 1-(cyclobutylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(cyclobutylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCC2)C(=O)CN1.
What is the InChIKey of 1-(cyclobutylmethyl)piperazine-2,5-dione?
The InChIKey is ZBLOXGDWJNVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-7/h7H,1-6H2,(H,10,12).
What are the key properties of 1-(cyclobutylmethyl)piperazine-2,5-dione?
1-(cyclobutylmethyl)piperazine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64956054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).