4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C17H21N5O4 — CID 70777488

IUPAC4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)cn1
InChIInChI=1S/C17H21N5O4/c1-13-2-3-14(10-19-13)26-17(16(24)25)5-8-21(9-6-17)15(23)4-7-22-12-18-11-20-22/h2-3,10-12H,4-9H2,1H3,(H,24,25)
InChIKeyXCLVUZCHAVEQNY-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.90
Rot. Bonds6

About 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 70777488) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID70777488
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)cn1
InChIInChI=1S/C17H21N5O4/c1-13-2-3-14(10-19-13)26-17(16(24)25)5-8-21(9-6-17)15(23)4-7-22-12-18-11-20-22/h2-3,10-12H,4-9H2,1H3,(H,24,25)
InChIKeyXCLVUZCHAVEQNY-UHFFFAOYSA-N
XLogP0.90
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 70777488) is 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)cn1.
What is the InChIKey of 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is XCLVUZCHAVEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-13-2-3-14(10-19-13)26-17(16(24)25)5-8-21(9-6-17)15(23)4-7-22-12-18-11-20-22/h2-3,10-12H,4-9H2,1H3,(H,24,25).
What are the key properties of 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70777488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).