N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C23H26N6O4 — CID 42289035

About N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42289035) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 42289035
• Molecular Formula: C23H26N6O4
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.20
• IUPAC Name: N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• SMILES: Cc1nccn1CCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C23H26N6O4/c1-16-24-9-13-27(16)12-7-22(30)28-10-5-18(6-11-28)29-21(4-8-25-29)26-23(31)17-2-3-19-20(14-17)33-15-32-19/h2-4,8-9,13-14,18H,5-7,10-12,15H2,1H3,(H,26,31)
• InChIKey: LZPKUNDKKJUFGT-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 103.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 42289035) is N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is Cc1nccn1CCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is LZPKUNDKKJUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-16-24-9-13-27(16)12-7-22(30)28-10-5-18(6-11-28)29-21(4-8-25-29)26-23(31)17-2-3-19-20(14-17)33-15-32-19/h2-4,8-9,13-14,18H,5-7,10-12,15H2,1H3,(H,26,31).

What are the key properties of N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42289035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).