2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid

C14H18N6O2 — CID 119924398

IUPAC2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N6O2/c1-11(13(21)22)18-7-9-19(10-8-18)14-15-16-17-20(14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,21,22)
InChIKeyAWJDOSKFQRKXJR-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.26
Rot. Bonds4

About 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid (PubChem CID 119924398) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
PubChem CID119924398
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N6O2/c1-11(13(21)22)18-7-9-19(10-8-18)14-15-16-17-20(14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,21,22)
InChIKeyAWJDOSKFQRKXJR-UHFFFAOYSA-N
XLogP0.26
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55601223
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628198
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
(2-hydroxy-4-propan-2-ylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55851808
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
1-[3-methyl-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-2-yl]-3-phenylurea
CID 56523114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid (CID 119924398) is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid?
The InChIKey is AWJDOSKFQRKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-11(13(21)22)18-7-9-19(10-8-18)14-15-16-17-20(14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,21,22).
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid?
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid has a molecular weight of 302.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 119924398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).