piperidin-1-yloxycarbonyl benzoate

C13H15NO4 — CID 87262578

IUPACpiperidin-1-yloxycarbonyl benzoate
SMILESO=C(OC(=O)c1ccccc1)ON1CCCCC1
InChIInChI=1S/C13H15NO4/c15-12(11-7-3-1-4-8-11)17-13(16)18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyXMLSKHZRZKAYHM-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.38
Rot. Bonds2

About piperidin-1-yloxycarbonyl benzoate

piperidin-1-yloxycarbonyl benzoate (PubChem CID 87262578) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is piperidin-1-yloxycarbonyl benzoate.

Molecular Properties

Compound Namepiperidin-1-yloxycarbonyl benzoate
PubChem CID87262578
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namepiperidin-1-yloxycarbonyl benzoate
SMILESO=C(OC(=O)c1ccccc1)ON1CCCCC1
InChIInChI=1S/C13H15NO4/c15-12(11-7-3-1-4-8-11)17-13(16)18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyXMLSKHZRZKAYHM-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yloxycarbonyl benzoate?
The IUPAC name of piperidin-1-yloxycarbonyl benzoate (CID 87262578) is piperidin-1-yloxycarbonyl benzoate.
What is the SMILES notation for piperidin-1-yloxycarbonyl benzoate?
The canonical SMILES for piperidin-1-yloxycarbonyl benzoate is O=C(OC(=O)c1ccccc1)ON1CCCCC1.
What is the InChIKey of piperidin-1-yloxycarbonyl benzoate?
The InChIKey is XMLSKHZRZKAYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(11-7-3-1-4-8-11)17-13(16)18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of piperidin-1-yloxycarbonyl benzoate?
piperidin-1-yloxycarbonyl benzoate has a molecular weight of 249.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yloxycarbonyl benzoate is sourced from PubChem (CID 87262578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).