ethyl 3-phenyl-2-piperidin-1-ylpropanoate

C16H23NO2 — CID 3357736

IUPACethyl 3-phenyl-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeySBLOJVMHVGRPPA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-phenyl-2-piperidin-1-ylpropanoate

ethyl 3-phenyl-2-piperidin-1-ylpropanoate (PubChem CID 3357736) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 3-phenyl-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-piperidin-1-ylpropanoate
PubChem CID3357736
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 3-phenyl-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeySBLOJVMHVGRPPA-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-phenyl-2-piperidin-1-ylpropanoate 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 3-phenyl-2-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-phenyl-2-piperidin-1-ylpropanoate (CID 3357736) is ethyl 3-phenyl-2-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-phenyl-2-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-phenyl-2-piperidin-1-ylpropanoate is CCOC(=O)C(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of ethyl 3-phenyl-2-piperidin-1-ylpropanoate?
The InChIKey is SBLOJVMHVGRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3.
What are the key properties of ethyl 3-phenyl-2-piperidin-1-ylpropanoate?
ethyl 3-phenyl-2-piperidin-1-ylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 3357736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).