N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide

C17H23F4N3O2 — CID 86846956

IUPACN-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccccc1F
InChIInChI=1S/C17H23F4N3O2/c18-14-4-1-2-5-15(14)22-16(25)12-24-9-7-23(8-10-24)6-3-11-26-13-17(19,20)21/h1-2,4-5H,3,6-13H2,(H,22,25)
InChIKeyQQFHTLHGDGDRIE-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.35
Rot. Bonds8

About N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 86846956) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
PubChem CID86846956
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC NameN-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccccc1F
InChIInChI=1S/C17H23F4N3O2/c18-14-4-1-2-5-15(14)22-16(25)12-24-9-7-23(8-10-24)6-3-11-26-13-17(19,20)21/h1-2,4-5H,3,6-13H2,(H,22,25)
InChIKeyQQFHTLHGDGDRIE-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60567807
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 171701663
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (CID 86846956) is N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is QQFHTLHGDGDRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O2/c18-14-4-1-2-5-15(14)22-16(25)12-24-9-7-23(8-10-24)6-3-11-26-13-17(19,20)21/h1-2,4-5H,3,6-13H2,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86846956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).