N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide

C23H30N6O2 — CID 124972323

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide (PubChem CID 124972323) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
• PubChem CID: 124972323
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
• SMILES: Cc1cc(C)n(CCNC(=O)C[C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1
• InChI: InChI=1S/C23H30N6O2/c1-15-11-16(2)29(27-15)10-8-24-22(30)12-18-5-4-9-28(14-18)23(31)19-6-7-20-21(13-19)26-17(3)25-20/h6-7,11,13,18H,4-5,8-10,12,14H2,1-3H3,(H,24,30)(H,25,26)/t18-/m1/s1
• InChIKey: KCHKXSGPRHSDBV-GOSISDBHSA-N
• XLogP: 2.74
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide (CID 124972323) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide.

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

The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide is Cc1cc(C)n(CCNC(=O)C[C@H]2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)n1.

What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide?

The InChIKey is KCHKXSGPRHSDBV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-11-16(2)29(27-15)10-8-24-22(30)12-18-5-4-9-28(14-18)23(31)19-6-7-20-21(13-19)26-17(3)25-20/h6-7,11,13,18H,4-5,8-10,12,14H2,1-3H3,(H,24,30)(H,25,26)/t18-/m1/s1.

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 124972323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).