3-methyl-1-nonylpiperazin-2-one

C14H28N2O — CID 63608174

IUPAC3-methyl-1-nonylpiperazin-2-one
SMILESCCCCCCCCCN1CCNC(C)C1=O
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-11-16-12-10-15-13(2)14(16)17/h13,15H,3-12H2,1-2H3
InChIKeyQCJSFSNZENRMAR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.56
Rot. Bonds8

About 3-methyl-1-nonylpiperazin-2-one

3-methyl-1-nonylpiperazin-2-one (PubChem CID 63608174) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-1-nonylpiperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-nonylpiperazin-2-one
PubChem CID63608174
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-1-nonylpiperazin-2-one
SMILESCCCCCCCCCN1CCNC(C)C1=O
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-11-16-12-10-15-13(2)14(16)17/h13,15H,3-12H2,1-2H3
InChIKeyQCJSFSNZENRMAR-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-nonylpiperazin-2-one?
The IUPAC name of 3-methyl-1-nonylpiperazin-2-one (CID 63608174) is 3-methyl-1-nonylpiperazin-2-one.
What is the SMILES notation for 3-methyl-1-nonylpiperazin-2-one?
The canonical SMILES for 3-methyl-1-nonylpiperazin-2-one is CCCCCCCCCN1CCNC(C)C1=O.
What is the InChIKey of 3-methyl-1-nonylpiperazin-2-one?
The InChIKey is QCJSFSNZENRMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-11-16-12-10-15-13(2)14(16)17/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-nonylpiperazin-2-one?
3-methyl-1-nonylpiperazin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonylpiperazin-2-one is sourced from PubChem (CID 63608174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).