[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

C32H38N4O3 — CID 22729278

About [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 22729278) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 22729278
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2cc3c(OCC(O)CN4CCC(c5ccc6ccccc6c5)CC4)cccc3[nH]2)CC1
• InChI: InChI=1S/C32H38N4O3/c1-34-15-17-36(18-16-34)32(38)30-20-28-29(33-30)7-4-8-31(28)39-22-27(37)21-35-13-11-24(12-14-35)26-10-9-23-5-2-3-6-25(23)19-26/h2-10,19-20,24,27,33,37H,11-18,21-22H2,1H3
• InChIKey: QHGNCMIQYAKTIV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 72.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 22729278) is [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3c(OCC(O)CN4CCC(c5ccc6ccccc6c5)CC4)cccc3[nH]2)CC1.

What is the InChIKey of [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is QHGNCMIQYAKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3/c1-34-15-17-36(18-16-34)32(38)30-20-28-29(33-30)7-4-8-31(28)39-22-27(37)21-35-13-11-24(12-14-35)26-10-9-23-5-2-3-6-25(23)19-26/h2-10,19-20,24,27,33,37H,11-18,21-22H2,1H3.

What are the key properties of [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 526.68 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22729278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).