1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one

C14H28N2O — CID 130272243

IUPAC1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
SMILESCCCCCC(C)(CC)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H28N2O/c1-5-7-8-9-14(3,6-2)16-11-10-15(4)13(17)12-16/h5-12H2,1-4H3
InChIKeyKJEROGUEWJYYOB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.51
Rot. Bonds6

About 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one

1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one (PubChem CID 130272243) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
PubChem CID130272243
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
SMILESCCCCCC(C)(CC)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H28N2O/c1-5-7-8-9-14(3,6-2)16-11-10-15(4)13(17)12-16/h5-12H2,1-4H3
InChIKeyKJEROGUEWJYYOB-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one (CID 130272243) is 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one is CCCCCC(C)(CC)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one?
The InChIKey is KJEROGUEWJYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-8-9-14(3,6-2)16-11-10-15(4)13(17)12-16/h5-12H2,1-4H3.
What are the key properties of 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one?
1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one is sourced from PubChem (CID 130272243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).