N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide

C28H32N4O2 — CID 118085834

About N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide

N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide (PubChem CID 118085834) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
• PubChem CID: 118085834
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
• SMILES: Cc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(C#N)cc1
• InChI: InChI=1S/C28H32N4O2/c1-19-26(25(33)18-31-14-6-5-7-15-31)23-16-21(30-27(34)28(2,3)4)10-13-24(23)32(19)22-11-8-20(17-29)9-12-22/h8-13,16H,5-7,14-15,18H2,1-4H3,(H,30,34)
• InChIKey: HVTNACJAGYNWDD-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 78.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide (CID 118085834) is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide is Cc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(C#N)cc1.

What is the InChIKey of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?

The InChIKey is HVTNACJAGYNWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-26(25(33)18-31-14-6-5-7-15-31)23-16-21(30-27(34)28(2,3)4)10-13-24(23)32(19)22-11-8-20(17-29)9-12-22/h8-13,16H,5-7,14-15,18H2,1-4H3,(H,30,34).

What are the key properties of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?

N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 456.59 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118085834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).