5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

C27H29F3N4O4 — CID 144867204

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (PubChem CID 144867204) has the molecular formula C27H29F3N4O4 and a molecular weight of 530.55 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
• PubChem CID: 144867204
• Molecular Formula: C27H29F3N4O4
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.21
• IUPAC Name: 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
• SMILES: CNC(=O)c1cc(-c2c(C)n[nH]c2C)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
• InChI: InChI=1S/C27H29F3N4O4/c1-16-25(17(2)33-32-16)19-6-9-23(22(15-19)26(36)31-3)37-20-10-12-34(13-11-20)24(35)14-18-4-7-21(8-5-18)38-27(28,29)30/h4-9,15,20H,10-14H2,1-3H3,(H,31,36)(H,32,33)
• InChIKey: ZAGVCUAMNZBWJG-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 96.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (CID 144867204) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.

What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is CNC(=O)c1cc(-c2c(C)n[nH]c2C)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1.

What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The InChIKey is ZAGVCUAMNZBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O4/c1-16-25(17(2)33-32-16)19-6-9-23(22(15-19)26(36)31-3)37-20-10-12-34(13-11-20)24(35)14-18-4-7-21(8-5-18)38-27(28,29)30/h4-9,15,20H,10-14H2,1-3H3,(H,31,36)(H,32,33).

What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide has a molecular weight of 530.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 144867204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).