N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

C29H36N4O — CID 158763846

About N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 158763846) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
• PubChem CID: 158763846
• Molecular Formula: C29H36N4O
• Molecular Weight: 456.63 g/mol
• Exact Mass: 456.29
• IUPAC Name: N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)cc2c1N=CC2
• InChI: InChI=1S/C29H36N4O/c1-18(2)27-24-16-21(20-9-12-33(13-10-20)17-26(34)32(4)5)6-7-25(24)31-29(27)23-14-19(3)28-22(15-23)8-11-30-28/h6-7,11,14-16,18,20,31H,8-10,12-13,17H2,1-5H3
• InChIKey: IOZWDMMOFIXLFW-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 51.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.63
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 158763846) is N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)cc2c1N=CC2.

What is the InChIKey of N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?

The InChIKey is IOZWDMMOFIXLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c1-18(2)27-24-16-21(20-9-12-33(13-10-20)17-26(34)32(4)5)6-7-25(24)31-29(27)23-14-19(3)28-22(15-23)8-11-30-28/h6-7,11,14-16,18,20,31H,8-10,12-13,17H2,1-5H3.

What are the key properties of N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?

N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 456.63 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 158763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).