2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride

C17H27ClFN3O — CID 120756468

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-12(2)13(3)20-17(22)11-21-8-7-19-10-16(21)14-5-4-6-15(18)9-14;/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3,(H,20,22);1H
InChIKeyYAODJPDDLIAVQQ-UHFFFAOYSA-N
MW343.87 g/mol
LogP2.35
Rot. Bonds5

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 120756468) has the molecular formula C17H27ClFN3O and a molecular weight of 343.87 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID120756468
Molecular FormulaC17H27ClFN3O
Molecular Weight343.87 g/mol
Exact Mass343.18
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-12(2)13(3)20-17(22)11-21-8-7-19-10-16(21)14-5-4-6-15(18)9-14;/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3,(H,20,22);1H
InChIKeyYAODJPDDLIAVQQ-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.87
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride (CID 120756468) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride is CC(C)C(C)NC(=O)CN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is YAODJPDDLIAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.ClH/c1-12(2)13(3)20-17(22)11-21-8-7-19-10-16(21)14-5-4-6-15(18)9-14;/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 343.87 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 120756468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).