6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide

C24H24FN3O4 — CID 110238182

IUPAC6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccccc1OCC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1
InChIInChI=1S/C24H24FN3O4/c1-31-20-6-2-3-7-21(20)32-14-22(29)28-10-4-5-15(13-28)23-18(24(26)30)12-16-11-17(25)8-9-19(16)27-23/h2-3,6-9,11-12,15H,4-5,10,13-14H2,1H3,(H2,26,30)
InChIKeyUBGNJQVYLVMVGH-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.27
Rot. Bonds6

About 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238182) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238182
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccccc1OCC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1
InChIInChI=1S/C24H24FN3O4/c1-31-20-6-2-3-7-21(20)32-14-22(29)28-10-4-5-15(13-28)23-18(24(26)30)12-16-11-17(25)8-9-19(16)27-23/h2-3,6-9,11-12,15H,4-5,10,13-14H2,1H3,(H2,26,30)
InChIKeyUBGNJQVYLVMVGH-UHFFFAOYSA-N
XLogP3.27
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide (CID 110238182) is 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide is COc1ccccc1OCC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1.
What is the InChIKey of 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is UBGNJQVYLVMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-31-20-6-2-3-7-21(20)32-14-22(29)28-10-4-5-15(13-28)23-18(24(26)30)12-16-11-17(25)8-9-19(16)27-23/h2-3,6-9,11-12,15H,4-5,10,13-14H2,1H3,(H2,26,30).
What are the key properties of 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).