3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C10H16N6O3 — CID 114278574

IUPAC3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)NCc2nn[nH]n2)CCC1C(=O)O
InChIInChI=1S/C10H16N6O3/c1-6-5-16(3-2-7(6)9(17)18)10(19)11-4-8-12-14-15-13-8/h6-7H,2-5H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeyQEKQUGJTSYJXOT-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.55
Rot. Bonds3

About 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid

3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 114278574) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID114278574
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)NCc2nn[nH]n2)CCC1C(=O)O
InChIInChI=1S/C10H16N6O3/c1-6-5-16(3-2-7(6)9(17)18)10(19)11-4-8-12-14-15-13-8/h6-7H,2-5H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeyQEKQUGJTSYJXOT-UHFFFAOYSA-N
XLogP-0.55
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 114278574) is 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CC1CN(C(=O)NCc2nn[nH]n2)CCC1C(=O)O.
What is the InChIKey of 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is QEKQUGJTSYJXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-6-5-16(3-2-7(6)9(17)18)10(19)11-4-8-12-14-15-13-8/h6-7H,2-5H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15).
What are the key properties of 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 114278574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).