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

C20H25ClFN3O2 — CID 120756974

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C20H24FN3O2.ClH/c1-26-19-8-3-2-5-16(19)12-23-20(25)14-24-10-9-22-13-18(24)15-6-4-7-17(21)11-15;/h2-8,11,18,22H,9-10,12-14H2,1H3,(H,23,25);1H
InChIKeyFCLRXVOTZABYGR-UHFFFAOYSA-N
MW393.89 g/mol
LogP2.52
Rot. Bonds6

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

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 120756974) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID120756974
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C20H24FN3O2.ClH/c1-26-19-8-3-2-5-16(19)12-23-20(25)14-24-10-9-22-13-18(24)15-6-4-7-17(21)11-15;/h2-8,11,18,22H,9-10,12-14H2,1H3,(H,23,25);1H
InChIKeyFCLRXVOTZABYGR-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757002
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754400
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride (CID 120756974) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride is COc1ccccc1CNC(=O)CN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is FCLRXVOTZABYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2.ClH/c1-26-19-8-3-2-5-16(19)12-23-20(25)14-24-10-9-22-13-18(24)15-6-4-7-17(21)11-15;/h2-8,11,18,22H,9-10,12-14H2,1H3,(H,23,25);1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 393.89 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120756974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).