N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride

C30H34ClN3O5 — CID 6445272

About N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride

N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6445272) has the molecular formula C30H34ClN3O5 and a molecular weight of 552.07 g/mol. Its IUPAC name is N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride
• PubChem CID: 6445272
• Molecular Formula: C30H34ClN3O5
• Molecular Weight: 552.07 g/mol
• Exact Mass: 551.22
• IUPAC Name: N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride
• SMILES: COc1cc(/C=C/C(=O)N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC.Cl
• InChI: InChI=1S/C30H33N3O5.ClH/c1-36-26-20-23(21-27(37-2)30(26)38-3)14-15-28(34)32-18-16-31(17-19-32)22-29(35)33(24-10-6-4-7-11-24)25-12-8-5-9-13-25;/h4-15,20-21H,16-19,22H2,1-3H3;1H/b15-14+
• InChIKey: COOTYRDRCTXIHU-WPDLWGESSA-N
• XLogP: 4.66
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.07
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride?

The IUPAC name of N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride (CID 6445272) is N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride?

The canonical SMILES for N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride is COc1cc(/C=C/C(=O)N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC.Cl.

What is the InChIKey of N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride?

The InChIKey is COOTYRDRCTXIHU-WPDLWGESSA-N. The full InChI is InChI=1S/C30H33N3O5.ClH/c1-36-26-20-23(21-27(37-2)30(26)38-3)14-15-28(34)32-18-16-31(17-19-32)22-29(35)33(24-10-6-4-7-11-24)25-12-8-5-9-13-25;/h4-15,20-21H,16-19,22H2,1-3H3;1H/b15-14+;.

What are the key properties of N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride?

N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 552.07 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6445272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).