1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine

C15H22N4O2 — CID 53192318

IUPAC1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCCc1nc(C2CCN(Cc3ccco3)CC2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-20-10-6-14-16-15(18-17-14)12-4-7-19(8-5-12)11-13-3-2-9-21-13/h2-3,9,12H,4-8,10-11H2,1H3,(H,16,17,18)
InChIKeyYSAPXJUOQLBYEV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds6

About 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine

1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 53192318) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID53192318
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCCc1nc(C2CCN(Cc3ccco3)CC2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-20-10-6-14-16-15(18-17-14)12-4-7-19(8-5-12)11-13-3-2-9-21-13/h2-3,9,12H,4-8,10-11H2,1H3,(H,16,17,18)
InChIKeyYSAPXJUOQLBYEV-UHFFFAOYSA-N
XLogP1.97
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine (CID 53192318) is 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine is COCCc1nc(C2CCN(Cc3ccco3)CC2)n[nH]1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is YSAPXJUOQLBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-20-10-6-14-16-15(18-17-14)12-4-7-19(8-5-12)11-13-3-2-9-21-13/h2-3,9,12H,4-8,10-11H2,1H3,(H,16,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 290.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 53192318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).