ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate

C21H26N2O5 — CID 24790280

IUPACethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C21H26N2O5/c1-4-27-20(25)21(14-16-5-7-17(26-3)8-6-16)9-11-23(12-10-21)19(24)18-13-15(2)28-22-18/h5-8,13H,4,9-12,14H2,1-3H3
InChIKeyAKEQJEUAIMLHPY-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.02
Rot. Bonds6

About ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate

ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate (PubChem CID 24790280) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate
PubChem CID24790280
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C21H26N2O5/c1-4-27-20(25)21(14-16-5-7-17(26-3)8-6-16)9-11-23(12-10-21)19(24)18-13-15(2)28-22-18/h5-8,13H,4,9-12,14H2,1-3H3
InChIKeyAKEQJEUAIMLHPY-UHFFFAOYSA-N
XLogP3.02
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-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-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate (CID 24790280) is ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cc(C)on2)CC1.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is AKEQJEUAIMLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-27-20(25)21(14-16-5-7-17(26-3)8-6-16)9-11-23(12-10-21)19(24)18-13-15(2)28-22-18/h5-8,13H,4,9-12,14H2,1-3H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate?
ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 24790280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).