5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C22H27N5S — CID 71740608

IUPAC5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(CN2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1
InChIInChI=1S/C22H27N5S/c1-2-4-18(5-3-1)14-25-10-6-21(7-11-25)27-17-20(23-24-27)16-26-12-8-22-19(15-26)9-13-28-22/h1-5,9,13,17,21H,6-8,10-12,14-16H2
InChIKeyPYQAFEQPCGANGP-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.73
Rot. Bonds5

About 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740608) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740608
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(CN2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1
InChIInChI=1S/C22H27N5S/c1-2-4-18(5-3-1)14-25-10-6-21(7-11-25)27-17-20(23-24-27)16-26-12-8-22-19(15-26)9-13-28-22/h1-5,9,13,17,21H,6-8,10-12,14-16H2
InChIKeyPYQAFEQPCGANGP-UHFFFAOYSA-N
XLogP3.73
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740608) is 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ccc(CN2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1.
What is the InChIKey of 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is PYQAFEQPCGANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5S/c1-2-4-18(5-3-1)14-25-10-6-21(7-11-25)27-17-20(23-24-27)16-26-12-8-22-19(15-26)9-13-28-22/h1-5,9,13,17,21H,6-8,10-12,14-16H2.
What are the key properties of 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 393.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).