2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C22H29N3O2 — CID 90650294

About 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 90650294) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 90650294
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
• SMILES: Cc1cn[nH]c1C1CCN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)CC1
• InChI: InChI=1S/C22H29N3O2/c1-15-14-23-24-20(15)17-9-11-25(12-10-17)21(26)22(2,3)27-19-8-7-16-5-4-6-18(16)13-19/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,23,24)
• InChIKey: HTEXZBLUMMKJPL-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 90650294) is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cn[nH]c1C1CCN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)CC1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?

The InChIKey is HTEXZBLUMMKJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-14-23-24-20(15)17-9-11-25(12-10-17)21(26)22(2,3)27-19-8-7-16-5-4-6-18(16)13-19/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,23,24).

What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).