(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate

C15H20N2O3 — CID 61322981

IUPAC(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
SMILESCC(OC(=O)c1ccccc1N)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-11(14(18)17-9-5-2-6-10-17)20-15(19)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10,16H2,1H3
InChIKeyVYUQSAHKGCGYBF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds3

About (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate (PubChem CID 61322981) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
PubChem CID61322981
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
SMILESCC(OC(=O)c1ccccc1N)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-11(14(18)17-9-5-2-6-10-17)20-15(19)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10,16H2,1H3
InChIKeyVYUQSAHKGCGYBF-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate?
The IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate (CID 61322981) is (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate.
What is the SMILES notation for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate?
The canonical SMILES for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate is CC(OC(=O)c1ccccc1N)C(=O)N1CCCCC1.
What is the InChIKey of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate?
The InChIKey is VYUQSAHKGCGYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(14(18)17-9-5-2-6-10-17)20-15(19)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10,16H2,1H3.
What are the key properties of (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate?
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate is sourced from PubChem (CID 61322981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).