5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

C17H17NO3 — CID 169334647

IUPAC5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)N2CCCCC2)o1
InChIInChI=1S/C17H17NO3/c19-12-13-8-9-16(21-13)14-6-2-3-7-15(14)17(20)18-10-4-1-5-11-18/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyGXMCVZJWYJLVFH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.39
Rot. Bonds3

About 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334647) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
PubChem CID169334647
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)N2CCCCC2)o1
InChIInChI=1S/C17H17NO3/c19-12-13-8-9-16(21-13)14-6-2-3-7-15(14)17(20)18-10-4-1-5-11-18/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyGXMCVZJWYJLVFH-UHFFFAOYSA-N
XLogP3.39
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332261
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
CID 169335017
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966

Frequently Asked Questions

What is the IUPAC name of 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (CID 169334647) is 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2C(=O)N2CCCCC2)o1.
What is the InChIKey of 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The InChIKey is GXMCVZJWYJLVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-12-13-8-9-16(21-13)14-6-2-3-7-15(14)17(20)18-10-4-1-5-11-18/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).