N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide

C24H27FN3O3+ — CID 7162930

IUPACN-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)18-31-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29)/p+1/t22-/m0/s1
InChIKeyRAESDTULQDNSBP-QFIPXVFZSA-O
MW424.50 g/mol
LogP2.06
Rot. Bonds8

About N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide

N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 7162930) has the molecular formula C24H27FN3O3+ and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID7162930
Molecular FormulaC24H27FN3O3+
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)18-31-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29)/p+1/t22-/m0/s1
InChIKeyRAESDTULQDNSBP-QFIPXVFZSA-O
XLogP2.06
TPSA59.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
CID 7162808
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-3,3-dimethylbutanamide
CID 7162964
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-3,3-dimethylbutanamide
CID 7162962
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 7162992
N'-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 7162906
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 7217183
2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 7972555
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
2-(4-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]acetamide
CID 7525478
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162730
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide
CID 7162722
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7162812

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide (CID 7162930) is N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is RAESDTULQDNSBP-QFIPXVFZSA-O. The full InChI is InChI=1S/C24H26FN3O3/c25-20-9-4-5-10-21(20)27-12-14-28(15-13-27)22(23-11-6-16-30-23)17-26-24(29)18-31-19-7-2-1-3-8-19/h1-11,16,22H,12-15,17-18H2,(H,26,29)/p+1/t22-/m0/s1.
What are the key properties of N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide?
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 424.50 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7162930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).