4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide

C21H24FN7O — CID 30858625

IUPAC4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN7O/c22-18-6-8-19(9-7-18)29-20(24-25-26-29)16-27-12-14-28(15-13-27)21(30)23-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,30)
InChIKeyZOOVLENQYJECCY-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.87
Rot. Bonds6

About 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide

4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 30858625) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID30858625
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN7O/c22-18-6-8-19(9-7-18)29-20(24-25-26-29)16-27-12-14-28(15-13-27)21(30)23-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,30)
InChIKeyZOOVLENQYJECCY-UHFFFAOYSA-N
XLogP1.87
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide 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 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (CID 30858625) is 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is ZOOVLENQYJECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c22-18-6-8-19(9-7-18)29-20(24-25-26-29)16-27-12-14-28(15-13-27)21(30)23-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,30).
What are the key properties of 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 30858625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).