ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate

C23H33NO4 — CID 142062599

IUPACethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(=Cc2ccccc2)CC1C(C)OC1CCCCO1
InChIInChI=1S/C23H33NO4/c1-4-26-23(25)24-17(2)14-20(15-19-10-6-5-7-11-19)16-21(24)18(3)28-22-12-8-9-13-27-22/h5-7,10-11,15,17-18,21-22H,4,8-9,12-14,16H2,1-3H3
InChIKeyRANSZONJIAANIO-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.01
Rot. Bonds5

About ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate

ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate (PubChem CID 142062599) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate
PubChem CID142062599
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Nameethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(=Cc2ccccc2)CC1C(C)OC1CCCCO1
InChIInChI=1S/C23H33NO4/c1-4-26-23(25)24-17(2)14-20(15-19-10-6-5-7-11-19)16-21(24)18(3)28-22-12-8-9-13-27-22/h5-7,10-11,15,17-18,21-22H,4,8-9,12-14,16H2,1-3H3
InChIKeyRANSZONJIAANIO-UHFFFAOYSA-N
XLogP5.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-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 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate (CID 142062599) is ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate is CCOC(=O)N1C(C)CC(=Cc2ccccc2)CC1C(C)OC1CCCCO1.
What is the InChIKey of ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate?
The InChIKey is RANSZONJIAANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-4-26-23(25)24-17(2)14-20(15-19-10-6-5-7-11-19)16-21(24)18(3)28-22-12-8-9-13-27-22/h5-7,10-11,15,17-18,21-22H,4,8-9,12-14,16H2,1-3H3.
What are the key properties of ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate?
ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzylidene-2-methyl-6-[1-(oxan-2-yloxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 142062599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).