2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C16H25ClFN3O — CID 119445254

IUPAC2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCCN1CCNCC1)c1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-16(2,13-4-3-5-14(17)12-13)15(21)19-8-11-20-9-6-18-7-10-20;/h3-5,12,18H,6-11H2,1-2H3,(H,19,21);1H
InChIKeyVYFIBGQOTKYZLW-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.55
Rot. Bonds5

About 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119445254) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119445254
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC Name2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCCN1CCNCC1)c1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-16(2,13-4-3-5-14(17)12-13)15(21)19-8-11-20-9-6-18-7-10-20;/h3-5,12,18H,6-11H2,1-2H3,(H,19,21);1H
InChIKeyVYFIBGQOTKYZLW-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446515
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391625
1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
CID 83855536
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
CID 119445325
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501365
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide
CID 86975289
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119445254) is 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CC(C)(C(=O)NCCN1CCNCC1)c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is VYFIBGQOTKYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-16(2,13-4-3-5-14(17)12-13)15(21)19-8-11-20-9-6-18-7-10-20;/h3-5,12,18H,6-11H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).