N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide

C26H32N4O2 — CID 125013984

About N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide

N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 125013984) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
• PubChem CID: 125013984
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
• SMILES: Cc1nc2ccc(C(=O)N3CCC[C@@H](CC(=O)N(C)CCCc4ccccc4)C3)cc2[nH]1
• InChI: InChI=1S/C26H32N4O2/c1-19-27-23-13-12-22(17-24(23)28-19)26(32)30-15-7-11-21(18-30)16-25(31)29(2)14-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-13,17,21H,6-7,10-11,14-16,18H2,1-2H3,(H,27,28)/t21-/m0/s1
• InChIKey: WIYNYLJKDHHXPJ-NRFANRHFSA-N
• XLogP: 4.20
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide?

The IUPAC name of N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide (CID 125013984) is N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide.

What is the SMILES notation for N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide?

The canonical SMILES for N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide is Cc1nc2ccc(C(=O)N3CCC[C@@H](CC(=O)N(C)CCCc4ccccc4)C3)cc2[nH]1.

What is the InChIKey of N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide?

The InChIKey is WIYNYLJKDHHXPJ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-27-23-13-12-22(17-24(23)28-19)26(32)30-15-7-11-21(18-30)16-25(31)29(2)14-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-13,17,21H,6-7,10-11,14-16,18H2,1-2H3,(H,27,28)/t21-/m0/s1.

What are the key properties of N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide?

N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 125013984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).