2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide

C18H19FN4O2 — CID 113011137

IUPAC2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C18H19FN4O2/c19-15-3-1-14(2-4-15)11-18(25)21-16-5-6-17(20-12-16)23-9-7-22(13-24)8-10-23/h1-6,12-13H,7-11H2,(H,21,25)
InChIKeyLKMWGLXGEYNLRN-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.68
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 113011137) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID113011137
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C18H19FN4O2/c19-15-3-1-14(2-4-15)11-18(25)21-16-5-6-17(20-12-16)23-9-7-22(13-24)8-10-23/h1-6,12-13H,7-11H2,(H,21,25)
InChIKeyLKMWGLXGEYNLRN-UHFFFAOYSA-N
XLogP1.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014066
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 113011137) is 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide is O=CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is LKMWGLXGEYNLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-15-3-1-14(2-4-15)11-18(25)21-16-5-6-17(20-12-16)23-9-7-22(13-24)8-10-23/h1-6,12-13H,7-11H2,(H,21,25).
What are the key properties of 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 113011137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).