N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide

C21H24FN3O3 — CID 7774557

IUPACN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-16(23-20(26)15-28-19-5-3-2-4-6-19)21(27)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyOTUVUZIKCVOQTC-MRXNPFEDSA-N
MW385.44 g/mol
LogP2.06
Rot. Bonds6

About N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide

N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide (PubChem CID 7774557) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
PubChem CID7774557
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-16(23-20(26)15-28-19-5-3-2-4-6-19)21(27)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyOTUVUZIKCVOQTC-MRXNPFEDSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 110347997
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 166180934
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide (CID 7774557) is N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide is C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The InChIKey is OTUVUZIKCVOQTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-16(23-20(26)15-28-19-5-3-2-4-6-19)21(27)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide has a molecular weight of 385.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 7774557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).