2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide

C29H30F3N5O3 — CID 166110468

About 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide

2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 166110468) has the molecular formula C29H30F3N5O3 and a molecular weight of 553.59 g/mol. Its IUPAC name is 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 166110468
• Molecular Formula: C29H30F3N5O3
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.23
• IUPAC Name: 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
• SMILES: NC(=O)Cc1ccc(C(=O)N2CCCC(C(=O)N3CCN(c4cc(C(F)(F)F)nc5ccccc45)CC3)C2)cc1
• InChI: InChI=1S/C29H30F3N5O3/c30-29(31,32)25-17-24(22-5-1-2-6-23(22)34-25)35-12-14-36(15-13-35)28(40)21-4-3-11-37(18-21)27(39)20-9-7-19(8-10-20)16-26(33)38/h1-2,5-10,17,21H,3-4,11-16,18H2,(H2,33,38)
• InChIKey: GYYCZMBTGBZSET-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 99.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.59
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?

The IUPAC name of 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide (CID 166110468) is 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide is NC(=O)Cc1ccc(C(=O)N2CCCC(C(=O)N3CCN(c4cc(C(F)(F)F)nc5ccccc45)CC3)C2)cc1.

What is the InChIKey of 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?

The InChIKey is GYYCZMBTGBZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O3/c30-29(31,32)25-17-24(22-5-1-2-6-23(22)34-25)35-12-14-36(15-13-35)28(40)21-4-3-11-37(18-21)27(39)20-9-7-19(8-10-20)16-26(33)38/h1-2,5-10,17,21H,3-4,11-16,18H2,(H2,33,38).

What are the key properties of 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?

2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 553.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 166110468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).