N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide

C21H26FN3O2 — CID 91937741

IUPACN-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-17(26)23-18-7-9-19(10-8-18)27-16-4-11-24-12-14-25(15-13-24)21-6-3-2-5-20(21)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)
InChIKeyGPVXDQQDXZRNNK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.38
Rot. Bonds7

About N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide

N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide (PubChem CID 91937741) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
PubChem CID91937741
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-17(26)23-18-7-9-19(10-8-18)27-16-4-11-24-12-14-25(15-13-24)21-6-3-2-5-20(21)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)
InChIKeyGPVXDQQDXZRNNK-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.38
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

4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
7-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135339838
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
1-[3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]-1-sulfanylurea
CID 91139201
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide (CID 91937741) is N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is GPVXDQQDXZRNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-17(26)23-18-7-9-19(10-8-18)27-16-4-11-24-12-14-25(15-13-24)21-6-3-2-5-20(21)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 91937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).