1-(5-amino-2-methoxyphenyl)piperidin-2-one

C12H16N2O2 — CID 13062325

IUPAC1-(5-amino-2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N)cc1N1CCCCC1=O
InChIInChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKeyICONSLWIKCFACJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-amino-2-methoxyphenyl)piperidin-2-one

1-(5-amino-2-methoxyphenyl)piperidin-2-one (PubChem CID 13062325) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-amino-2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methoxyphenyl)piperidin-2-one
PubChem CID13062325
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-amino-2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N)cc1N1CCCCC1=O
InChIInChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKeyICONSLWIKCFACJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 1-(5-amino-2-methoxyphenyl)piperidin-2-one (CID 13062325) is 1-(5-amino-2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-(5-amino-2-methoxyphenyl)piperidin-2-one is COc1ccc(N)cc1N1CCCCC1=O.
What is the InChIKey of 1-(5-amino-2-methoxyphenyl)piperidin-2-one?
The InChIKey is ICONSLWIKCFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 1-(5-amino-2-methoxyphenyl)piperidin-2-one?
1-(5-amino-2-methoxyphenyl)piperidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 13062325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).