ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate

C19H21NO4 — CID 169336252

IUPACethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)17-6-4-3-5-16(17)18-8-7-15(13-21)24-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyDEYWIOJOCXWEIU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.54
Rot. Bonds5

About ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate

ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate (PubChem CID 169336252) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate
PubChem CID169336252
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1
InChIInChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)17-6-4-3-5-16(17)18-8-7-15(13-21)24-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyDEYWIOJOCXWEIU-UHFFFAOYSA-N
XLogP3.54
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
CID 169335732
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
ethyl 1-[2-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]piperidine-4-carboxylate
CID 168606075
ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-4-carboxylate
CID 2845409
ethyl 1-[2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-4-carboxylate
CID 169331670
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
CID 53012010
ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]phenyl]piperidine-4-carboxylate
CID 169342070
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
CID 83972080
ethyl 1-[2-[4-(trifluoromethyl)phenoxy]phenyl]piperidine-4-carboxylate
CID 172543076
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 175962179

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate (CID 169336252) is ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccccc2-c2ccc(C=O)o2)CC1.
What is the InChIKey of ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate?
The InChIKey is DEYWIOJOCXWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-23-19(22)14-9-11-20(12-10-14)17-6-4-3-5-16(17)18-8-7-15(13-21)24-18/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate?
ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 169336252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).