4-butyl-1-methylpiperazin-2-one

C9H18N2O — CID 117005150

IUPAC4-butyl-1-methylpiperazin-2-one
SMILESCCCCN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(12)8-11/h3-8H2,1-2H3
InChIKeyOUWMCDOIDQPIGQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds3

About 4-butyl-1-methylpiperazin-2-one

4-butyl-1-methylpiperazin-2-one (PubChem CID 117005150) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-butyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-butyl-1-methylpiperazin-2-one
PubChem CID117005150
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-butyl-1-methylpiperazin-2-one
SMILESCCCCN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(12)8-11/h3-8H2,1-2H3
InChIKeyOUWMCDOIDQPIGQ-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpiperazin-2-one?
The IUPAC name of 4-butyl-1-methylpiperazin-2-one (CID 117005150) is 4-butyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-butyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-butyl-1-methylpiperazin-2-one is CCCCN1CCN(C)C(=O)C1.
What is the InChIKey of 4-butyl-1-methylpiperazin-2-one?
The InChIKey is OUWMCDOIDQPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(12)8-11/h3-8H2,1-2H3.
What are the key properties of 4-butyl-1-methylpiperazin-2-one?
4-butyl-1-methylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpiperazin-2-one is sourced from PubChem (CID 117005150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).