2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

C21H26FN3O2 — CID 46601982

IUPAC2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-17(27-20-9-7-18(22)8-10-20)21(26)23-11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyONJRSHDQOGDXLF-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (PubChem CID 46601982) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
PubChem CID46601982
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-17(27-20-9-7-18(22)8-10-20)21(26)23-11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyONJRSHDQOGDXLF-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 7551063
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 46431848
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (CID 46601982) is 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is ONJRSHDQOGDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-17(27-20-9-7-18(22)8-10-20)21(26)23-11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 46601982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).