N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide

C23H23F3N3O+ — CID 8548032

IUPACN-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)19-6-3-7-21(15-19)29-12-10-28(11-13-29)16-22(30)27-20-9-8-17-4-1-2-5-18(17)14-20/h1-9,14-15H,10-13,16H2,(H,27,30)/p+1
InChIKeyRFXGDVGAXFBBQE-UHFFFAOYSA-O
MW414.45 g/mol
LogP3.20
Rot. Bonds4

About N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide

N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 8548032) has the molecular formula C23H23F3N3O+ and a molecular weight of 414.45 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
PubChem CID8548032
Molecular FormulaC23H23F3N3O+
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)19-6-3-7-21(15-19)29-12-10-28(11-13-29)16-22(30)27-20-9-8-17-4-1-2-5-18(17)14-20/h1-9,14-15H,10-13,16H2,(H,27,30)/p+1
InChIKeyRFXGDVGAXFBBQE-UHFFFAOYSA-O
XLogP3.20
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6961989
N-[(2S)-butan-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548223
N-[(2R)-pentan-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548238
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670
2-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8895949
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547713
N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8001169
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 7022975
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide (CID 8548032) is N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is RFXGDVGAXFBBQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22F3N3O/c24-23(25,26)19-6-3-7-21(15-19)29-12-10-28(11-13-29)16-22(30)27-20-9-8-17-4-1-2-5-18(17)14-20/h1-9,14-15H,10-13,16H2,(H,27,30)/p+1.
What are the key properties of N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8548032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).