2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

C18H21FN4O2 — CID 171691037

IUPAC2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-15-6-3-2-5-14(15)20-18(24)13-22-9-11-23(12-10-22)17-8-4-7-16(19)21-17/h2-8H,9-13H2,1H3,(H,20,24)
InChIKeyWITOXGSMWJHLOZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 171691037) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID171691037
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-15-6-3-2-5-14(15)20-18(24)13-22-9-11-23(12-10-22)17-8-4-7-16(19)21-17/h2-8H,9-13H2,1H3,(H,20,24)
InChIKeyWITOXGSMWJHLOZ-UHFFFAOYSA-N
XLogP1.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 10363553
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-(6-fluoro-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168282708
N-(6-bromo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168295143
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
N-(2-methoxyphenyl)-N'-pyridin-2-yloxamide
CID 2907831
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127033507
N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-piperidin-1-yl-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 150967523
N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 151821865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 171691037) is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is WITOXGSMWJHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-15-6-3-2-5-14(15)20-18(24)13-22-9-11-23(12-10-22)17-8-4-7-16(19)21-17/h2-8H,9-13H2,1H3,(H,20,24).
What are the key properties of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 171691037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).