N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C24H30F3N5O — CID 55470932

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 55470932) has the molecular formula C24H30F3N5O and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
• PubChem CID: 55470932
• Molecular Formula: C24H30F3N5O
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.24
• IUPAC Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(Cc2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
• InChI: InChI=1S/C24H30F3N5O/c25-24(26,27)19-7-8-22(32-10-4-1-5-11-32)21(16-19)29-23(33)18-31-14-12-30(13-15-31)17-20-6-2-3-9-28-20/h2-3,6-9,16H,1,4-5,10-15,17-18H2,(H,29,33)
• InChIKey: CHDDVSYYNWQHEH-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?

The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 55470932) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.

What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?

The InChIKey is CHDDVSYYNWQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O/c25-24(26,27)19-7-8-22(32-10-4-1-5-11-32)21(16-19)29-23(33)18-31-14-12-30(13-15-31)17-20-6-2-3-9-28-20/h2-3,6-9,16H,1,4-5,10-15,17-18H2,(H,29,33).

What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 461.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55470932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).