3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one

C24H24N6O2 — CID 46600615

IUPAC3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-23(14-12-21-11-13-22(32-21)19-7-3-1-4-8-19)28-15-17-29(18-16-28)24-25-26-27-30(24)20-9-5-2-6-10-20/h1-11,13H,12,14-18H2
InChIKeyRYYLZLKDBPUMHO-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.20
Rot. Bonds6

About 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one

3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 46600615) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
PubChem CID46600615
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-23(14-12-21-11-13-22(32-21)19-7-3-1-4-8-19)28-15-17-29(18-16-28)24-25-26-27-30(24)20-9-5-2-6-10-20/h1-11,13H,12,14-18H2
InChIKeyRYYLZLKDBPUMHO-UHFFFAOYSA-N
XLogP3.20
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one 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 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one (CID 46600615) is 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is RYYLZLKDBPUMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23(14-12-21-11-13-22(32-21)19-7-3-1-4-8-19)28-15-17-29(18-16-28)24-25-26-27-30(24)20-9-5-2-6-10-20/h1-11,13H,12,14-18H2.
What are the key properties of 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one?
3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46600615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).