4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine

C22H24N6O — CID 70777152

IUPAC4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine
SMILESc1ccc(-n2cnnc2CC2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-2-4-18(5-3-1)28-16-24-26-22(28)14-17-9-12-27(13-10-17)15-19-6-7-21(29-19)20-8-11-23-25-20/h1-8,11,16-17H,9-10,12-15H2,(H,23,25)
InChIKeyMEWZLPROUWPFNN-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.71
Rot. Bonds6

About 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine

4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine (PubChem CID 70777152) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine
PubChem CID70777152
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine
SMILESc1ccc(-n2cnnc2CC2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-2-4-18(5-3-1)28-16-24-26-22(28)14-17-9-12-27(13-10-17)15-19-6-7-21(29-19)20-8-11-23-25-20/h1-8,11,16-17H,9-10,12-15H2,(H,23,25)
InChIKeyMEWZLPROUWPFNN-UHFFFAOYSA-N
XLogP3.71
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine?
The IUPAC name of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine (CID 70777152) is 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine?
The canonical SMILES for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine is c1ccc(-n2cnnc2CC2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc1.
What is the InChIKey of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine?
The InChIKey is MEWZLPROUWPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-4-18(5-3-1)28-16-24-26-22(28)14-17-9-12-27(13-10-17)15-19-6-7-21(29-19)20-8-11-23-25-20/h1-8,11,16-17H,9-10,12-15H2,(H,23,25).
What are the key properties of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine?
4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine has a molecular weight of 388.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine is sourced from PubChem (CID 70777152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).