5-butyl-1-methylpiperazin-2-one

C9H18N2O — CID 44630633

IUPAC5-butyl-1-methylpiperazin-2-one
SMILESCCCCC1CN(C)C(=O)CN1
InChIInChI=1S/C9H18N2O/c1-3-4-5-8-7-11(2)9(12)6-10-8/h8,10H,3-7H2,1-2H3
InChIKeyYORVOKCEUQTEAO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds3

About 5-butyl-1-methylpiperazin-2-one

5-butyl-1-methylpiperazin-2-one (PubChem CID 44630633) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-butyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name5-butyl-1-methylpiperazin-2-one
PubChem CID44630633
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-butyl-1-methylpiperazin-2-one
SMILESCCCCC1CN(C)C(=O)CN1
InChIInChI=1S/C9H18N2O/c1-3-4-5-8-7-11(2)9(12)6-10-8/h8,10H,3-7H2,1-2H3
InChIKeyYORVOKCEUQTEAO-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methylpiperazin-2-one?
The IUPAC name of 5-butyl-1-methylpiperazin-2-one (CID 44630633) is 5-butyl-1-methylpiperazin-2-one.
What is the SMILES notation for 5-butyl-1-methylpiperazin-2-one?
The canonical SMILES for 5-butyl-1-methylpiperazin-2-one is CCCCC1CN(C)C(=O)CN1.
What is the InChIKey of 5-butyl-1-methylpiperazin-2-one?
The InChIKey is YORVOKCEUQTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-8-7-11(2)9(12)6-10-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-butyl-1-methylpiperazin-2-one?
5-butyl-1-methylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methylpiperazin-2-one is sourced from PubChem (CID 44630633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).