ethyl 1-benzoyloxypiperidine-3-carboxylate

C15H19NO4 — CID 146937916

IUPACethyl 1-benzoyloxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(OC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-2-19-14(17)13-9-6-10-16(11-13)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyAGHBNZWRVQMVSG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds4

About ethyl 1-benzoyloxypiperidine-3-carboxylate

ethyl 1-benzoyloxypiperidine-3-carboxylate (PubChem CID 146937916) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-benzoyloxypiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyloxypiperidine-3-carboxylate
PubChem CID146937916
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-benzoyloxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(OC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-2-19-14(17)13-9-6-10-16(11-13)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyAGHBNZWRVQMVSG-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-benzoyloxypiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyloxypiperidine-3-carboxylate?
The IUPAC name of ethyl 1-benzoyloxypiperidine-3-carboxylate (CID 146937916) is ethyl 1-benzoyloxypiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyloxypiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyloxypiperidine-3-carboxylate is CCOC(=O)C1CCCN(OC(=O)c2ccccc2)C1.
What is the InChIKey of ethyl 1-benzoyloxypiperidine-3-carboxylate?
The InChIKey is AGHBNZWRVQMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-14(17)13-9-6-10-16(11-13)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of ethyl 1-benzoyloxypiperidine-3-carboxylate?
ethyl 1-benzoyloxypiperidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyloxypiperidine-3-carboxylate is sourced from PubChem (CID 146937916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).