N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C22H29ClFN3O2 — CID 120757002

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)CN2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H28FN3O2.ClH/c1-2-28-16-18-8-6-17(7-9-18)13-25-22(27)15-26-11-10-24-14-21(26)19-4-3-5-20(23)12-19;/h3-9,12,21,24H,2,10-11,13-16H2,1H3,(H,25,27);1H
InChIKeyKFRWHSPIAXVOTR-UHFFFAOYSA-N
MW421.94 g/mol
LogP3.05
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120757002) has the molecular formula C22H29ClFN3O2 and a molecular weight of 421.94 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120757002
Molecular FormulaC22H29ClFN3O2
Molecular Weight421.94 g/mol
Exact Mass421.19
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)CN2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H28FN3O2.ClH/c1-2-28-16-18-8-6-17(7-9-18)13-25-22(27)15-26-11-10-24-14-21(26)19-4-3-5-20(23)12-19;/h3-9,12,21,24H,2,10-11,13-16H2,1H3,(H,25,27);1H
InChIKeyKFRWHSPIAXVOTR-UHFFFAOYSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.94
LogP ≤ 53.05
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-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120757002) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is CCOCc1ccc(CNC(=O)CN2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is KFRWHSPIAXVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2.ClH/c1-2-28-16-18-8-6-17(7-9-18)13-25-22(27)15-26-11-10-24-14-21(26)19-4-3-5-20(23)12-19;/h3-9,12,21,24H,2,10-11,13-16H2,1H3,(H,25,27);1H.
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 421.94 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120757002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).