2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C20H24F3N3O — CID 120813563

IUPAC2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCC(N1CCNCC1)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C20H24F3N3O/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)19(27)25-13-18(20(21,22)23)26-10-8-24-9-11-26/h2-7,12,14,18,24H,8-11,13H2,1H3,(H,25,27)
InChIKeyFKFWWCDFVAIGOD-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.90
Rot. Bonds5

About 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120813563) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120813563
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCC(N1CCNCC1)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C20H24F3N3O/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)19(27)25-13-18(20(21,22)23)26-10-8-24-9-11-26/h2-7,12,14,18,24H,8-11,13H2,1H3,(H,25,27)
InChIKeyFKFWWCDFVAIGOD-UHFFFAOYSA-N
XLogP2.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811051
2-phenylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813428
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813833
2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120812855
2-(4-methoxyphenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811618
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120652768
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813497
2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120813563) is 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is CC(C(=O)NCC(N1CCNCC1)C(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is FKFWWCDFVAIGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)19(27)25-13-18(20(21,22)23)26-10-8-24-9-11-26/h2-7,12,14,18,24H,8-11,13H2,1H3,(H,25,27).
What are the key properties of 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 379.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120813563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).