3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C26H34N4O2 — CID 25285978

About 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 25285978) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• PubChem CID: 25285978
• Molecular Formula: C26H34N4O2
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.27
• IUPAC Name: 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• SMILES: CCn1c(CN2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21
• InChI: InChI=1S/C26H34N4O2/c1-4-30-24-10-6-5-9-23(24)27-25(30)18-29-15-7-8-20(17-29)11-14-26(31)28-22-13-12-21(32-3)16-19(22)2/h5-6,9-10,12-13,16,20H,4,7-8,11,14-15,17-18H2,1-3H3,(H,28,31)/t20-/m1/s1
• InChIKey: MROKJOYTZMXCET-HXUWFJFHSA-N
• XLogP: 5.00
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The IUPAC name of 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 25285978) is 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

What is the SMILES notation for 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The canonical SMILES for 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is CCn1c(CN2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21.

What is the InChIKey of 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The InChIKey is MROKJOYTZMXCET-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-30-24-10-6-5-9-23(24)27-25(30)18-29-15-7-8-20(17-29)11-14-26(31)28-22-13-12-21(32-3)16-19(22)2/h5-6,9-10,12-13,16,20H,4,7-8,11,14-15,17-18H2,1-3H3,(H,28,31)/t20-/m1/s1.

What are the key properties of 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 434.58 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 25285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).