2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

C25H28ClN3O3 — CID 11633862

About 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 11633862) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
• PubChem CID: 11633862
• Molecular Formula: C25H28ClN3O3
• Molecular Weight: 453.97 g/mol
• Exact Mass: 453.18
• IUPAC Name: 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
• SMILES: COc1ccc(-n2ccc(CN3CCC(NC(=O)COc4cccc(Cl)c4)CC3)c2)cc1
• InChI: InChI=1S/C25H28ClN3O3/c1-31-23-7-5-22(6-8-23)29-14-9-19(17-29)16-28-12-10-21(11-13-28)27-25(30)18-32-24-4-2-3-20(26)15-24/h2-9,14-15,17,21H,10-13,16,18H2,1H3,(H,27,30)
• InChIKey: STMKNDVTNDOWMY-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.97
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (CID 11633862) is 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is COc1ccc(-n2ccc(CN3CCC(NC(=O)COc4cccc(Cl)c4)CC3)c2)cc1.

What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?

The InChIKey is STMKNDVTNDOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-31-23-7-5-22(6-8-23)29-14-9-19(17-29)16-28-12-10-21(11-13-28)27-25(30)18-32-24-4-2-3-20(26)15-24/h2-9,14-15,17,21H,10-13,16,18H2,1H3,(H,27,30).

What are the key properties of 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?

2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 453.97 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenoxy)-N-[1-[[1-(4-methoxyphenyl)pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11633862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).