5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid

C11H13N5O2S — CID 11437425

IUPAC5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(n2nnc(-c3cccs3)n2)CN1
InChIInChI=1S/C11H13N5O2S/c17-11(18)8-4-3-7(6-12-8)16-14-10(13-15-16)9-2-1-5-19-9/h1-2,5,7-8,12H,3-4,6H2,(H,17,18)
InChIKeyJFSFKZPTTQGGIQ-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.78
Rot. Bonds3

About 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid

5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid (PubChem CID 11437425) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid
PubChem CID11437425
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(n2nnc(-c3cccs3)n2)CN1
InChIInChI=1S/C11H13N5O2S/c17-11(18)8-4-3-7(6-12-8)16-14-10(13-15-16)9-2-1-5-19-9/h1-2,5,7-8,12H,3-4,6H2,(H,17,18)
InChIKeyJFSFKZPTTQGGIQ-UHFFFAOYSA-N
XLogP0.78
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate
CID 11324251
dimethyl 5-[[4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
CID 17322220
N-(3,4-dimethylphenyl)-4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioamide
CID 17322208
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 60827025
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144444
(3S)-1-(2-methylphenyl)-3-[4-(5-thiophen-2-yltetrazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 92823129
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718

Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid (CID 11437425) is 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid is O=C(O)C1CCC(n2nnc(-c3cccs3)n2)CN1.
What is the InChIKey of 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid?
The InChIKey is JFSFKZPTTQGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-11(18)8-4-3-7(6-12-8)16-14-10(13-15-16)9-2-1-5-19-9/h1-2,5,7-8,12H,3-4,6H2,(H,17,18).
What are the key properties of 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid?
5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 11437425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).