N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C21H32N6O2 — CID 25286633

About N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 25286633) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
• PubChem CID: 25286633
• Molecular Formula: C21H32N6O2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.26
• IUPAC Name: N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
• SMILES: CCc1nccn1CCC(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
• InChI: InChI=1S/C21H32N6O2/c1-4-18-22-10-14-25(18)13-8-21(29)26-11-6-17(7-12-26)27-19(5-9-23-27)24-20(28)15-16(2)3/h5,9-10,14,16-17H,4,6-8,11-13,15H2,1-3H3,(H,24,28)
• InChIKey: HWZSJCBUSYHBJQ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?

The IUPAC name of N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 25286633) is N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

What is the SMILES notation for N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?

The canonical SMILES for N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CCc1nccn1CCC(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1.

What is the InChIKey of N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?

The InChIKey is HWZSJCBUSYHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-4-18-22-10-14-25(18)13-8-21(29)26-11-6-17(7-12-26)27-19(5-9-23-27)24-20(28)15-16(2)3/h5,9-10,14,16-17H,4,6-8,11-13,15H2,1-3H3,(H,24,28).

What are the key properties of N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?

N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 400.53 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 25286633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).