N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide

C33H46N4O2 — CID 142156738

About N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide

N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide (PubChem CID 142156738) has the molecular formula C33H46N4O2 and a molecular weight of 530.76 g/mol. Its IUPAC name is N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
• PubChem CID: 142156738
• Molecular Formula: C33H46N4O2
• Molecular Weight: 530.76 g/mol
• Exact Mass: 530.36
• IUPAC Name: N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
• SMILES: Cc1ccc(CC(NC(=O)CC2NCc3ccccc32)C(=O)N2CCN(C(C)CC3CCCCC3)CC2)cc1
• InChI: InChI=1S/C33H46N4O2/c1-24-12-14-27(15-13-24)21-31(35-32(38)22-30-29-11-7-6-10-28(29)23-34-30)33(39)37-18-16-36(17-19-37)25(2)20-26-8-4-3-5-9-26/h6-7,10-15,25-26,30-31,34H,3-5,8-9,16-23H2,1-2H3,(H,35,38)
• InChIKey: OGMJNSMXLMZDEP-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.76
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?

The IUPAC name of N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide (CID 142156738) is N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide.

What is the SMILES notation for N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?

The canonical SMILES for N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide is Cc1ccc(CC(NC(=O)CC2NCc3ccccc32)C(=O)N2CCN(C(C)CC3CCCCC3)CC2)cc1.

What is the InChIKey of N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?

The InChIKey is OGMJNSMXLMZDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O2/c1-24-12-14-27(15-13-24)21-31(35-32(38)22-30-29-11-7-6-10-28(29)23-34-30)33(39)37-18-16-36(17-19-37)25(2)20-26-8-4-3-5-9-26/h6-7,10-15,25-26,30-31,34H,3-5,8-9,16-23H2,1-2H3,(H,35,38).

What are the key properties of N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?

N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide has a molecular weight of 530.76 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(1-cyclohexylpropan-2-yl)piperazin-1-yl]-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide is sourced from PubChem (CID 142156738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).