N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide

C19H22FN5O2 — CID 100665806

IUPACN-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(c3cncc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN5O2/c1-14(26)22-16-2-4-17(5-3-16)23-19(27)13-24-6-8-25(9-7-24)18-10-15(20)11-21-12-18/h2-5,10-12H,6-9,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyIPKMMWNETTXUNB-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.94
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 100665806) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
PubChem CID100665806
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(c3cncc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN5O2/c1-14(26)22-16-2-4-17(5-3-16)23-19(27)13-24-6-8-25(9-7-24)18-10-15(20)11-21-12-18/h2-5,10-12H,6-9,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyIPKMMWNETTXUNB-UHFFFAOYSA-N
XLogP1.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide (CID 100665806) is N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)CN2CCN(c3cncc(F)c3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is IPKMMWNETTXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-14(26)22-16-2-4-17(5-3-16)23-19(27)13-24-6-8-25(9-7-24)18-10-15(20)11-21-12-18/h2-5,10-12H,6-9,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 100665806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).