5-(4-amino-3-methoxyanilino)piperidin-2-one

C12H17N3O2 — CID 63675556

IUPAC5-(4-amino-3-methoxyanilino)piperidin-2-one
SMILESCOc1cc(NC2CCC(=O)NC2)ccc1N
InChIInChI=1S/C12H17N3O2/c1-17-11-6-8(2-4-10(11)13)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7,13H2,1H3,(H,14,16)
InChIKeyNGFIHFUEJDOZPQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.97
Rot. Bonds3

About 5-(4-amino-3-methoxyanilino)piperidin-2-one

5-(4-amino-3-methoxyanilino)piperidin-2-one (PubChem CID 63675556) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(4-amino-3-methoxyanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(4-amino-3-methoxyanilino)piperidin-2-one
PubChem CID63675556
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(4-amino-3-methoxyanilino)piperidin-2-one
SMILESCOc1cc(NC2CCC(=O)NC2)ccc1N
InChIInChI=1S/C12H17N3O2/c1-17-11-6-8(2-4-10(11)13)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7,13H2,1H3,(H,14,16)
InChIKeyNGFIHFUEJDOZPQ-UHFFFAOYSA-N
XLogP0.97
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methoxyanilino)piperidin-2-one?
The IUPAC name of 5-(4-amino-3-methoxyanilino)piperidin-2-one (CID 63675556) is 5-(4-amino-3-methoxyanilino)piperidin-2-one.
What is the SMILES notation for 5-(4-amino-3-methoxyanilino)piperidin-2-one?
The canonical SMILES for 5-(4-amino-3-methoxyanilino)piperidin-2-one is COc1cc(NC2CCC(=O)NC2)ccc1N.
What is the InChIKey of 5-(4-amino-3-methoxyanilino)piperidin-2-one?
The InChIKey is NGFIHFUEJDOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-6-8(2-4-10(11)13)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7,13H2,1H3,(H,14,16).
What are the key properties of 5-(4-amino-3-methoxyanilino)piperidin-2-one?
5-(4-amino-3-methoxyanilino)piperidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methoxyanilino)piperidin-2-one is sourced from PubChem (CID 63675556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).