(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

C₂₁H₃₅N₃O₃+2 — CID 7437037

About (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (PubChem CID 7437037) has the molecular formula C₂₁H₃₅N₃O₃+2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
• PubChem CID: 7437037
• Molecular Formula: C₂₁H₃₅N₃O₃+2
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.27
• IUPAC Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
• SMILES: COc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1
• InChI: InChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1
• InChIKey: NBTRRYGPHFDJBM-MRXNPFEDSA-P
• XLogP: 0.15
• TPSA: 56.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?

The IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (CID 7437037) is (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.

What is the SMILES notation for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?

The canonical SMILES for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is COc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1.

What is the InChIKey of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?

The InChIKey is NBTRRYGPHFDJBM-MRXNPFEDSA-P. The full InChI is InChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1.

What are the key properties of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?

(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 377.53 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7437037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7437037 — identifiers, structure, computed properties (public domain)

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