1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine

C23H24N4O — CID 162364902

IUPAC1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine
SMILESc1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5o4)n[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O/c1-2-6-17(7-3-1)14-18-10-12-27(13-11-18)16-22-24-23(26-25-22)21-15-19-8-4-5-9-20(19)28-21/h1-9,15,18H,10-14,16H2,(H,24,25,26)
InChIKeyNDIDIKBFABYTQV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.67
Rot. Bonds5

About 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine

1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine (PubChem CID 162364902) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine.

Molecular Properties

Compound Name1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine
PubChem CID162364902
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine
SMILESc1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5o4)n[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O/c1-2-6-17(7-3-1)14-18-10-12-27(13-11-18)16-22-24-23(26-25-22)21-15-19-8-4-5-9-20(19)28-21/h1-9,15,18H,10-14,16H2,(H,24,25,26)
InChIKeyNDIDIKBFABYTQV-UHFFFAOYSA-N
XLogP4.67
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine?
The IUPAC name of 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine (CID 162364902) is 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine.
What is the SMILES notation for 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine?
The canonical SMILES for 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine is c1ccc(CC2CCN(Cc3nc(-c4cc5ccccc5o4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine?
The InChIKey is NDIDIKBFABYTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-6-17(7-3-1)14-18-10-12-27(13-11-18)16-22-24-23(26-25-22)21-15-19-8-4-5-9-20(19)28-21/h1-9,15,18H,10-14,16H2,(H,24,25,26).
What are the key properties of 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine?
1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine has a molecular weight of 372.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-benzylpiperidine is sourced from PubChem (CID 162364902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).