5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid

C15H19N5O2 — CID 122106801

IUPAC5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
SMILESCc1ccc(-n2nnnc2N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19N5O2/c1-10-3-5-13(6-4-10)20-15(16-17-18-20)19-8-11(2)7-12(9-19)14(21)22/h3-6,11-12H,7-9H2,1-2H3,(H,21,22)
InChIKeyMRNQEPFQQJYJQE-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.52
Rot. Bonds3

About 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid

5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid (PubChem CID 122106801) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
PubChem CID122106801
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
SMILESCc1ccc(-n2nnnc2N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19N5O2/c1-10-3-5-13(6-4-10)20-15(16-17-18-20)19-8-11(2)7-12(9-19)14(21)22/h3-6,11-12H,7-9H2,1-2H3,(H,21,22)
InChIKeyMRNQEPFQQJYJQE-UHFFFAOYSA-N
XLogP1.52
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
(3S,4S)-1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120923221
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid (CID 122106801) is 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid is Cc1ccc(-n2nnnc2N2CC(C)CC(C(=O)O)C2)cc1.
What is the InChIKey of 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
The InChIKey is MRNQEPFQQJYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-3-5-13(6-4-10)20-15(16-17-18-20)19-8-11(2)7-12(9-19)14(21)22/h3-6,11-12H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid?
5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122106801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).