ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate

C22H27NO2 — CID 10172125

IUPACethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H27NO2/c1-2-25-21(24)18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)23-16-10-5-11-17-23/h3-4,6-9,12-15H,2,5,10-11,16-18H2,1H3
InChIKeyUXWNEPMNZFAZJA-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.37
Rot. Bonds6

About ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate

ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate (PubChem CID 10172125) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
PubChem CID10172125
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Nameethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H27NO2/c1-2-25-21(24)18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)23-16-10-5-11-17-23/h3-4,6-9,12-15H,2,5,10-11,16-18H2,1H3
InChIKeyUXWNEPMNZFAZJA-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3,3-diphenyl-3-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

Related Compounds

ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
CID 103466113
ethyl 3-(4-methylpiperazin-1-yl)-3-phenylbutanoate
CID 65422298
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
CID 64526458
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
ethyl 3-cyano-3-cyclohexyl-3-phenylpropanoate
CID 22718294
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
CID 64529180
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295
ethyl 3-(2-bromophenyl)-3-hydroxy-3-phenylpropanoate
CID 102412333

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate (CID 10172125) is ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate is CCOC(=O)CC(c1ccccc1)(c1ccccc1)N1CCCCC1.
What is the InChIKey of ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate?
The InChIKey is UXWNEPMNZFAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-25-21(24)18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)23-16-10-5-11-17-23/h3-4,6-9,12-15H,2,5,10-11,16-18H2,1H3.
What are the key properties of ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate?
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 10172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).