N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C23H26F3N3O — CID 8548196

IUPACN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H26F3N3O/c24-23(25,26)18-7-4-8-19(15-18)29-13-11-28(12-14-29)16-22(30)27-21-10-3-6-17-5-1-2-9-20(17)21/h1-2,4-5,7-9,15,21H,3,6,10-14,16H2,(H,27,30)/t21-/m1/s1
InChIKeyQMELPRQQGYHRMD-OAQYLSRUSA-N
MW417.48 g/mol
LogP4.02
Rot. Bonds4

About N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 8548196) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID8548196
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H26F3N3O/c24-23(25,26)18-7-4-8-19(15-18)29-13-11-28(12-14-29)16-22(30)27-21-10-3-6-17-5-1-2-9-20(17)21/h1-2,4-5,7-9,15,21H,3,6,10-14,16H2,(H,27,30)/t21-/m1/s1
InChIKeyQMELPRQQGYHRMD-OAQYLSRUSA-N
XLogP4.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
N-(2-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 46535941
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11421045
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25408220
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 8548196) is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is QMELPRQQGYHRMD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26F3N3O/c24-23(25,26)18-7-4-8-19(15-18)29-13-11-28(12-14-29)16-22(30)27-21-10-3-6-17-5-1-2-9-20(17)21/h1-2,4-5,7-9,15,21H,3,6,10-14,16H2,(H,27,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 417.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8548196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).