3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide

C31H33N3O4 — CID 19972665

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide (PubChem CID 19972665) has the molecular formula C31H33N3O4 and a molecular weight of 511.62 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide.

Molecular Properties

• Compound Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide
• PubChem CID: 19972665
• Molecular Formula: C31H33N3O4
• Molecular Weight: 511.62 g/mol
• Exact Mass: 511.25
• IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide
• SMILES: COc1ccccc1N1CCN(CCC(=O)N(C)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
• InChI: InChI=1S/C31H33N3O4/c1-22-29(36)24-12-9-14-26(31(24)38-30(22)23-10-5-4-6-11-23)32(2)28(35)16-17-33-18-20-34(21-19-33)25-13-7-8-15-27(25)37-3/h4-15H,16-21H2,1-3H3
• InChIKey: JSVHNOKUGUAUJG-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 66.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide?

The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide (CID 19972665) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide.

What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide?

The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide is COc1ccccc1N1CCN(CCC(=O)N(C)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.

What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide?

The InChIKey is JSVHNOKUGUAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4/c1-22-29(36)24-12-9-14-26(31(24)38-30(22)23-10-5-4-6-11-23)32(2)28(35)16-17-33-18-20-34(21-19-33)25-13-7-8-15-27(25)37-3/h4-15H,16-21H2,1-3H3.

What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide?

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide has a molecular weight of 511.62 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(3-methyl-4-oxo-2-phenylchromen-8-yl)propanamide is sourced from PubChem (CID 19972665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).