1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid

C16H18N8O2 — CID 95191744

IUPAC1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)nn1
InChIInChI=1S/C16H18N8O2/c25-15(26)14-11-23(20-17-14)10-12-5-4-8-22(9-12)16-18-19-21-24(16)13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,25,26)/t12-/m1/s1
InChIKeyAHVIGVGEGFQSQE-GFCCVEGCSA-N
MW354.37 g/mol
LogP0.87
Rot. Bonds5

About 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid

1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid (PubChem CID 95191744) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
PubChem CID95191744
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)nn1
InChIInChI=1S/C16H18N8O2/c25-15(26)14-11-23(20-17-14)10-12-5-4-8-22(9-12)16-18-19-21-24(16)13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,25,26)/t12-/m1/s1
InChIKeyAHVIGVGEGFQSQE-GFCCVEGCSA-N
XLogP0.87
TPSA114.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic 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

1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56716452
1-[[1-(3-cyano-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56714395
N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72904671
1-[[1-(7-chloroquinolin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56707594
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid (CID 95191744) is 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)nn1.
What is the InChIKey of 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is AHVIGVGEGFQSQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N8O2/c25-15(26)14-11-23(20-17-14)10-12-5-4-8-22(9-12)16-18-19-21-24(16)13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,25,26)/t12-/m1/s1.
What are the key properties of 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid?
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 95191744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).