N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide

C14H19FN4O2 — CID 60928545

IUPACN-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H19FN4O2/c1-10(20)17-13-8-11(2-3-12(13)15)18-14(21)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyFMKFXYPHXJSLQR-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.63
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide

N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide (PubChem CID 60928545) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
PubChem CID60928545
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H19FN4O2/c1-10(20)17-13-8-11(2-3-12(13)15)18-14(21)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyFMKFXYPHXJSLQR-UHFFFAOYSA-N
XLogP0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527
2-(1,4-diazepan-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 62839860
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
CID 103585983
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
CID 60849658
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide (CID 60928545) is N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide is CC(=O)Nc1cc(NC(=O)CN2CCNCC2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide?
The InChIKey is FMKFXYPHXJSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-10(20)17-13-8-11(2-3-12(13)15)18-14(21)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide?
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide has a molecular weight of 294.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60928545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).