2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

C20H25N3O — CID 125023698

About 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 125023698) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 125023698
• Molecular Formula: C20H25N3O
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.20
• IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1
• InChI: InChI=1S/C20H25N3O/c1-14-12-21-22-19(14)10-15-4-3-9-23(13-15)20(24)18-8-7-16-5-2-6-17(16)11-18/h7-8,11-12,15H,2-6,9-10,13H2,1H3,(H,21,22)/t15-/m0/s1
• InChIKey: ZAAQYXGJNZMZFQ-HNNXBMFYSA-N
• XLogP: 3.30
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (CID 125023698) is 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1.

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

The InChIKey is ZAAQYXGJNZMZFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-12-21-22-19(14)10-15-4-3-9-23(13-15)20(24)18-8-7-16-5-2-6-17(16)11-18/h7-8,11-12,15H,2-6,9-10,13H2,1H3,(H,21,22)/t15-/m0/s1.

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

2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125023698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).