4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid

C15H21N7O3 — CID 56901006

IUPAC4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCCn3cnnn3)CC2)c1
InChIInChI=1S/C15H21N7O3/c1-12-9-17-22(10-12)15(14(24)25)4-7-20(8-5-15)13(23)3-2-6-21-11-16-18-19-21/h9-11H,2-8H2,1H3,(H,24,25)
InChIKeyDBSYQWNGENCVQN-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.06
Rot. Bonds6

About 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid (PubChem CID 56901006) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
PubChem CID56901006
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCCn3cnnn3)CC2)c1
InChIInChI=1S/C15H21N7O3/c1-12-9-17-22(10-12)15(14(24)25)4-7-20(8-5-15)13(23)3-2-6-21-11-16-18-19-21/h9-11H,2-8H2,1H3,(H,24,25)
InChIKeyDBSYQWNGENCVQN-UHFFFAOYSA-N
XLogP0.06
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid (CID 56901006) is 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)CCCn3cnnn3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is DBSYQWNGENCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-12-9-17-22(10-12)15(14(24)25)4-7-20(8-5-15)13(23)3-2-6-21-11-16-18-19-21/h9-11H,2-8H2,1H3,(H,24,25).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56901006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).