dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C32H45N3O6 — CID 10144521

About dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10144521) has the molecular formula C32H45N3O6 and a molecular weight of 567.73 g/mol. Its IUPAC name is dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

• Compound Name: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• PubChem CID: 10144521
• Molecular Formula: C32H45N3O6
• Molecular Weight: 567.73 g/mol
• Exact Mass: 567.33
• IUPAC Name: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CCC(C(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)C1
• InChI: InChI=1S/C32H45N3O6/c1-20-27(31(37)40-4)29(28(21(2)34-20)32(38)41-5)24-10-11-25(18-24)30(36)33-14-7-15-35-16-12-22(13-17-35)23-8-6-9-26(19-23)39-3/h6,8-9,19,22,24-25,29,34H,7,10-18H2,1-5H3,(H,33,36)
• InChIKey: CWSCWHBFAGWRNK-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.73
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The IUPAC name of dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10144521) is dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

What is the SMILES notation for dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The canonical SMILES for dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CCC(C(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)C1.

What is the InChIKey of dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The InChIKey is CWSCWHBFAGWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O6/c1-20-27(31(37)40-4)29(28(21(2)34-20)32(38)41-5)24-10-11-25(18-24)30(36)33-14-7-15-35-16-12-22(13-17-35)23-8-6-9-26(19-23)39-3/h6,8-9,19,22,24-25,29,34H,7,10-18H2,1-5H3,(H,33,36).

What are the key properties of dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 567.73 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoyl]cyclopentyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10144521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).