ethyl 1-benzoylpiperidine-4-carboxylate

C15H19NO3 — CID 735824

IUPACethyl 1-benzoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyKZRCFZMHWBAFHJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds3

About ethyl 1-benzoylpiperidine-4-carboxylate

ethyl 1-benzoylpiperidine-4-carboxylate (PubChem CID 735824) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 1-benzoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoylpiperidine-4-carboxylate
PubChem CID735824
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 1-benzoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyKZRCFZMHWBAFHJ-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-benzoylpiperidine-4-carboxylate (CID 735824) is ethyl 1-benzoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-benzoylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-benzoylpiperidine-4-carboxylate?
The InChIKey is KZRCFZMHWBAFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of ethyl 1-benzoylpiperidine-4-carboxylate?
ethyl 1-benzoylpiperidine-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoylpiperidine-4-carboxylate is sourced from PubChem (CID 735824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).