2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone

C25H37F3N4O2 — CID 143404029

IUPAC2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone
SMILESCCCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H37F3N4O2/c1-4-5-6-19(2)30-13-15-32(16-14-30)24(34)18-29-9-11-31(12-10-29)21-7-8-22(20(3)33)23(17-21)25(26,27)28/h7-8,17,19H,4-6,9-16,18H2,1-3H3
InChIKeySYONESIGQPJQJU-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.75
Rot. Bonds8

About 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone

2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone (PubChem CID 143404029) has the molecular formula C25H37F3N4O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone
PubChem CID143404029
Molecular FormulaC25H37F3N4O2
Molecular Weight482.59 g/mol
Exact Mass482.29
IUPAC Name2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone
SMILESCCCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H37F3N4O2/c1-4-5-6-19(2)30-13-15-32(16-14-30)24(34)18-29-9-11-31(12-10-29)21-7-8-22(20(3)33)23(17-21)25(26,27)28/h7-8,17,19H,4-6,9-16,18H2,1-3H3
InChIKeySYONESIGQPJQJU-UHFFFAOYSA-N
XLogP3.75
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-butan-2-ylpiperazin-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442914
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 143404087
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
4-(4-pentan-2-ylpiperazin-1-yl)benzoic acid
CID 66975271
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442534
1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone
CID 174243950
1-(4-prop-2-enylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone (CID 143404029) is 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone is CCCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)c(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is SYONESIGQPJQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F3N4O2/c1-4-5-6-19(2)30-13-15-32(16-14-30)24(34)18-29-9-11-31(12-10-29)21-7-8-22(20(3)33)23(17-21)25(26,27)28/h7-8,17,19H,4-6,9-16,18H2,1-3H3.
What are the key properties of 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone?
2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 482.59 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143404029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).