4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide

C27H35N3O2 — CID 42704022

About 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide

4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide (PubChem CID 42704022) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide
• PubChem CID: 42704022
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide
• SMILES: CCC(C)C(NC(=O)c1ccc(C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C27H35N3O2/c1-4-22(3)25(28-26(31)24-14-12-21(2)13-15-24)27(32)30-19-17-29(18-20-30)16-8-11-23-9-6-5-7-10-23/h5-15,22,25H,4,16-20H2,1-3H3,(H,28,31)/b11-8+
• InChIKey: GEMYZWNKJMIRKR-DHZHZOJOSA-N
• XLogP: 4.00
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide (CID 42704022) is 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide?

The InChIKey is GEMYZWNKJMIRKR-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-22(3)25(28-26(31)24-14-12-21(2)13-15-24)27(32)30-19-17-29(18-20-30)16-8-11-23-9-6-5-7-10-23/h5-15,22,25H,4,16-20H2,1-3H3,(H,28,31)/b11-8+.

What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide?

4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 42704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).