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

C10H16N6O3 — CID 63124713

IUPAC4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C10H16N6O3/c1-10(8(17)18)2-4-16(5-3-10)9(19)11-6-7-12-14-15-13-7/h2-6H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeyUNBKLEOOICHCDB-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.40
Rot. Bonds3

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

4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63124713) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63124713
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C10H16N6O3/c1-10(8(17)18)2-4-16(5-3-10)9(19)11-6-7-12-14-15-13-7/h2-6H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15)
InChIKeyUNBKLEOOICHCDB-UHFFFAOYSA-N
XLogP-0.40
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 ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 114278574
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114184272
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017386
2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235341
4-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 64532366
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 63124713) is 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCc2nn[nH]n2)CC1.
What is the InChIKey of 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is UNBKLEOOICHCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-10(8(17)18)2-4-16(5-3-10)9(19)11-6-7-12-14-15-13-7/h2-6H2,1H3,(H,11,19)(H,17,18)(H,12,13,14,15).
What are the key properties of 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).