[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

C11H14N4O2S — CID 134162933

IUPAC[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C11H14N4O2S/c12-14-13-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,16H,3-7H2
InChIKeyUZYDIIFIYOUNFK-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.16
Rot. Bonds3

About [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 134162933) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID134162933
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILES[N-]=[N+]=NCc1ccc(C(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C11H14N4O2S/c12-14-13-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,16H,3-7H2
InChIKeyUZYDIIFIYOUNFK-UHFFFAOYSA-N
XLogP2.16
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)thiophen-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 134162964
[5-(azidomethyl)thiophen-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 134162992
5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide
CID 134163076
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
3-[5-(azidomethyl)thiophen-2-yl]propanoic acid
CID 167729397
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429

Frequently Asked Questions

What is the IUPAC name of [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 134162933) is [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is [N-]=[N+]=NCc1ccc(C(=O)N2CCC(O)CC2)s1.
What is the InChIKey of [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is UZYDIIFIYOUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-14-13-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,16H,3-7H2.
What are the key properties of [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 266.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 134162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).