4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

C21H27N3O3 — CID 70775931

About 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 70775931) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
• PubChem CID: 70775931
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
• SMILES: Cc1c(CN2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)cnn1C
• InChI: InChI=1S/C21H27N3O3/c1-15-18(13-22-23(15)2)14-24-10-8-21(9-11-24,20(25)26)27-19-7-6-16-4-3-5-17(16)12-19/h6-7,12-13H,3-5,8-11,14H2,1-2H3,(H,25,26)
• InChIKey: CEROBBIYUFBJPM-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 70775931) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is Cc1c(CN2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)cnn1C.

What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?

The InChIKey is CEROBBIYUFBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-18(13-22-23(15)2)14-24-10-8-21(9-11-24,20(25)26)27-19-7-6-16-4-3-5-17(16)12-19/h6-7,12-13H,3-5,8-11,14H2,1-2H3,(H,25,26).

What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?

4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70775931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).