N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C23H26FN3O3 — CID 86965233

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)COc3ccc4c(c3)CCC(=O)N4)C2)c1
InChIInChI=1S/C23H26FN3O3/c1-15-4-7-19(24)21(11-15)27-10-2-3-17(13-27)25-23(29)14-30-18-6-8-20-16(12-18)5-9-22(28)26-20/h4,6-8,11-12,17H,2-3,5,9-10,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyBABPMISSWGITGE-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 86965233) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID86965233
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)COc3ccc4c(c3)CCC(=O)N4)C2)c1
InChIInChI=1S/C23H26FN3O3/c1-15-4-7-19(24)21(11-15)27-10-2-3-17(13-27)25-23(29)14-30-18-6-8-20-16(12-18)5-9-22(28)26-20/h4,6-8,11-12,17H,2-3,5,9-10,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyBABPMISSWGITGE-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 86966257
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966242
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86965207
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-cyclohexylsulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 154775488
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965405
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-(5-fluoro-1H-indol-3-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965249

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 86965233) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is Cc1ccc(F)c(N2CCCC(NC(=O)COc3ccc4c(c3)CCC(=O)N4)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is BABPMISSWGITGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15-4-7-19(24)21(11-15)27-10-2-3-17(13-27)25-23(29)14-30-18-6-8-20-16(12-18)5-9-22(28)26-20/h4,6-8,11-12,17H,2-3,5,9-10,13-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 86965233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).