N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide

C20H29F3N4O — CID 95726698

About N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide (PubChem CID 95726698) has the molecular formula C20H29F3N4O and a molecular weight of 398.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
• PubChem CID: 95726698
• Molecular Formula: C20H29F3N4O
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.23
• IUPAC Name: N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
• SMILES: CN(C)C(=O)CN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
• InChI: InChI=1S/C20H29F3N4O/c1-24(2)19(28)15-25-8-4-7-18(14-25)27-11-9-26(10-12-27)17-6-3-5-16(13-17)20(21,22)23/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3/t18-/m0/s1
• InChIKey: YNBZGSUAHYZGOP-SFHVURJKSA-N
• XLogP: 2.38
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide (CID 95726698) is N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.

What is the InChIKey of N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide?

The InChIKey is YNBZGSUAHYZGOP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29F3N4O/c1-24(2)19(28)15-25-8-4-7-18(14-25)27-11-9-26(10-12-27)17-6-3-5-16(13-17)20(21,22)23/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3/t18-/m0/s1.

What are the key properties of N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide?

N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95726698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).