2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine

C18H21N5O — CID 29026172

IUPAC2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(CC3CCN(Cc4ccoc4)CC3)nn2)nc1
InChIInChI=1S/C18H21N5O/c1-2-7-19-17(3-1)18-13-23(21-20-18)12-15-4-8-22(9-5-15)11-16-6-10-24-14-16/h1-3,6-7,10,13-15H,4-5,8-9,11-12H2
InChIKeyJAZHGCJKTBHGAM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine

2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine (PubChem CID 29026172) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine
PubChem CID29026172
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(CC3CCN(Cc4ccoc4)CC3)nn2)nc1
InChIInChI=1S/C18H21N5O/c1-2-7-19-17(3-1)18-13-23(21-20-18)12-15-4-8-22(9-5-15)11-16-6-10-24-14-16/h1-3,6-7,10,13-15H,4-5,8-9,11-12H2
InChIKeyJAZHGCJKTBHGAM-UHFFFAOYSA-N
XLogP2.85
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine (CID 29026172) is 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine is c1ccc(-c2cn(CC3CCN(Cc4ccoc4)CC3)nn2)nc1.
What is the InChIKey of 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine?
The InChIKey is JAZHGCJKTBHGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-7-19-17(3-1)18-13-23(21-20-18)12-15-4-8-22(9-5-15)11-16-6-10-24-14-16/h1-3,6-7,10,13-15H,4-5,8-9,11-12H2.
What are the key properties of 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine?
2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine has a molecular weight of 323.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 29026172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).