4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid

C15H21N5O3 — CID 56894800

IUPAC4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3noc(C(C)C)n3)CC2)c1
InChIInChI=1S/C15H21N5O3/c1-10(2)12-17-14(18-23-12)19-6-4-15(5-7-19,13(21)22)20-9-11(3)8-16-20/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyIBPIVTIBFLCXNC-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.78
Rot. Bonds4

About 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid (PubChem CID 56894800) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid
PubChem CID56894800
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3noc(C(C)C)n3)CC2)c1
InChIInChI=1S/C15H21N5O3/c1-10(2)12-17-14(18-23-12)19-6-4-15(5-7-19,13(21)22)20-9-11(3)8-16-20/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyIBPIVTIBFLCXNC-UHFFFAOYSA-N
XLogP1.78
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid (CID 56894800) is 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3noc(C(C)C)n3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid?
The InChIKey is IBPIVTIBFLCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10(2)12-17-14(18-23-12)19-6-4-15(5-7-19,13(21)22)20-9-11(3)8-16-20/h8-10H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid has a molecular weight of 319.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56894800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).