4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one

C15H22N2O2 — CID 86791204

IUPAC4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCOCCCN1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C15H22N2O2/c1-12-6-3-4-7-13(12)14-15(18)16-8-10-17(14)9-5-11-19-2/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,16,18)
InChIKeyYIKBOOVZKOCUIM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds5

About 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one

4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one (PubChem CID 86791204) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one
PubChem CID86791204
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCOCCCN1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C15H22N2O2/c1-12-6-3-4-7-13(12)14-15(18)16-8-10-17(14)9-5-11-19-2/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,16,18)
InChIKeyYIKBOOVZKOCUIM-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one (CID 86791204) is 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one is COCCCN1CCNC(=O)C1c1ccccc1C.
What is the InChIKey of 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is YIKBOOVZKOCUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-6-3-4-7-13(12)14-15(18)16-8-10-17(14)9-5-11-19-2/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one?
4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 86791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).