5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C29H38N4O4 — CID 1063748

About 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1063748) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 1063748
• Molecular Formula: C29H38N4O4
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.29
• IUPAC Name: 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NC[C@H]2CCCO2)CC1
• InChI: InChI=1S/C29H38N4O4/c1-36-27-11-5-4-10-26(27)33-16-14-32(15-17-33)25-13-12-22(31-28(34)21-7-2-3-8-21)19-24(25)29(35)30-20-23-9-6-18-37-23/h4-5,10-13,19,21,23H,2-3,6-9,14-18,20H2,1H3,(H,30,35)(H,31,34)/t23-/m1/s1
• InChIKey: CCMDGIHJEAHCPX-HSZRJFAPSA-N
• XLogP: 4.06
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1063748) is 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NC[C@H]2CCCO2)CC1.

What is the InChIKey of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The InChIKey is CCMDGIHJEAHCPX-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-36-27-11-5-4-10-26(27)33-16-14-32(15-17-33)25-13-12-22(31-28(34)21-7-2-3-8-21)19-24(25)29(35)30-20-23-9-6-18-37-23/h4-5,10-13,19,21,23H,2-3,6-9,14-18,20H2,1H3,(H,30,35)(H,31,34)/t23-/m1/s1.

What are the key properties of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 506.65 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1063748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).