4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide

C32H39N3O3 — CID 22729214

About 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide

4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide (PubChem CID 22729214) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
• PubChem CID: 22729214
• Molecular Formula: C32H39N3O3
• Molecular Weight: 513.68 g/mol
• Exact Mass: 513.30
• IUPAC Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
• SMILES: CC(C)n1c(C(=O)N(C)C)cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21
• InChI: InChI=1S/C32H39N3O3/c1-22(2)35-29-10-7-11-31(28(29)19-30(35)32(37)33(3)4)38-21-27(36)20-34-16-14-24(15-17-34)26-13-12-23-8-5-6-9-25(23)18-26/h5-13,18-19,22,24,27,36H,14-17,20-21H2,1-4H3
• InChIKey: JJOMPDAEAWAVFG-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 57.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.68
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
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]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide?

The IUPAC name of 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide (CID 22729214) is 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide.

What is the SMILES notation for 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide?

The canonical SMILES for 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide is CC(C)n1c(C(=O)N(C)C)cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21.

What is the InChIKey of 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide?

The InChIKey is JJOMPDAEAWAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3/c1-22(2)35-29-10-7-11-31(28(29)19-30(35)32(37)33(3)4)38-21-27(36)20-34-16-14-24(15-17-34)26-13-12-23-8-5-6-9-25(23)18-26/h5-13,18-19,22,24,27,36H,14-17,20-21H2,1-4H3.

What are the key properties of 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide?

4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide has a molecular weight of 513.68 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 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]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 22729214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).