ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate

C19H21NO4 — CID 168527063

IUPACethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2-c2ccco2)CC1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)18(21)16-7-4-3-6-15(16)17-8-5-13-24-17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZFUGTHUDIIYHCZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds4

About ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate

ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate (PubChem CID 168527063) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
PubChem CID168527063
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2-c2ccco2)CC1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)18(21)16-7-4-3-6-15(16)17-8-5-13-24-17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZFUGTHUDIIYHCZ-UHFFFAOYSA-N
XLogP3.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(furan-2-yl)benzoyl]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

Related Compounds

ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-[2-(furan-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2414801
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-[2-[(1-amino-2-chloroethylidene)amino]benzoyl]piperidine-4-carboxylate
CID 169367907
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate (CID 168527063) is ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ccco2)CC1.
What is the InChIKey of ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate?
The InChIKey is ZFUGTHUDIIYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)18(21)16-7-4-3-6-15(16)17-8-5-13-24-17/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 168527063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).