1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one

C18H19N3O — CID 10017278

IUPAC1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one
SMILESCN1CC(c2ccc(/N=N/c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C18H19N3O/c1-21-13-15(9-12-18(21)22)14-7-10-17(11-8-14)20-19-16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3/b20-19+
InChIKeyGUDNFCRTZUCEOP-FMQUCBEESA-N
MW293.37 g/mol
LogP4.44
Rot. Bonds3

About 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one

1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one (PubChem CID 10017278) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one
PubChem CID10017278
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one
SMILESCN1CC(c2ccc(/N=N/c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C18H19N3O/c1-21-13-15(9-12-18(21)22)14-7-10-17(11-8-14)20-19-16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3/b20-19+
InChIKeyGUDNFCRTZUCEOP-FMQUCBEESA-N
XLogP4.44
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one?
The IUPAC name of 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one (CID 10017278) is 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one is CN1CC(c2ccc(/N=N/c3ccccc3)cc2)CCC1=O.
What is the InChIKey of 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one?
The InChIKey is GUDNFCRTZUCEOP-FMQUCBEESA-N. The full InChI is InChI=1S/C18H19N3O/c1-21-13-15(9-12-18(21)22)14-7-10-17(11-8-14)20-19-16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3/b20-19+.
What are the key properties of 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one?
1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one is sourced from PubChem (CID 10017278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).