[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone

C11H14N4O2 — CID 134162774

IUPAC[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C11H14N4O2/c12-14-13-8-9-4-5-10(17-9)11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2
InChIKeyMJVWQLMYSCSOSU-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.72
Rot. Bonds3

About [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone

[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 134162774) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID134162774
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C11H14N4O2/c12-14-13-8-9-4-5-10(17-9)11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2
InChIKeyMJVWQLMYSCSOSU-UHFFFAOYSA-N
XLogP2.72
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 134162907
[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 134162813
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 134162771
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
CID 111601348
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 35524316
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
5-(azidomethyl)furan-2-carbaldehyde
CID 52915712

Frequently Asked Questions

What is the IUPAC name of [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone (CID 134162774) is [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone is [N-]=[N+]=NCc1ccc(C(=O)N2CCCCC2)o1.
What is the InChIKey of [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MJVWQLMYSCSOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-14-13-8-9-4-5-10(17-9)11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2.
What are the key properties of [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 234.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134162774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).