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

C20H22FN3O3 — CID 91937736

IUPACN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c1-15(25)22-17-4-8-19(9-5-17)27-14-20(26)24-12-10-23(11-13-24)18-6-2-16(21)3-7-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyUEEMFRKYANTTEO-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.51
Rot. Bonds5

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

N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 91937736) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID91937736
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c1-15(25)22-17-4-8-19(9-5-17)27-14-20(26)24-12-10-23(11-13-24)18-6-2-16(21)3-7-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyUEEMFRKYANTTEO-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Samelisant
CID 60151477
Propetamide
CID 68937
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Phenoxyacetanilide
CID 264248
1-(4-Phenoxyphenyl)piperazine
CID 3017356
Ucm 765
CID 24749950
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
N-(4-methoxyphenyl)morpholine-4-carboxamide
CID 321216

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (CID 91937736) is N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is UEEMFRKYANTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-15(25)22-17-4-8-19(9-5-17)27-14-20(26)24-12-10-23(11-13-24)18-6-2-16(21)3-7-18/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 91937736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).