6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide

C26H28FN3O3 — CID 110238288

IUPAC6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1ccc(OC(C)(C)C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1
InChIInChI=1S/C26H28FN3O3/c1-16-6-9-20(10-7-16)33-26(2,3)25(32)30-12-4-5-17(15-30)23-21(24(28)31)14-18-13-19(27)8-11-22(18)29-23/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,28,31)
InChIKeyLNPBDXMDKVXUCP-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.34
Rot. Bonds5

About 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238288) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238288
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1ccc(OC(C)(C)C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1
InChIInChI=1S/C26H28FN3O3/c1-16-6-9-20(10-7-16)33-26(2,3)25(32)30-12-4-5-17(15-30)23-21(24(28)31)14-18-13-19(27)8-11-22(18)29-23/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,28,31)
InChIKeyLNPBDXMDKVXUCP-UHFFFAOYSA-N
XLogP4.34
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43403393
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238205

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (CID 110238288) is 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is Cc1ccc(OC(C)(C)C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1.
What is the InChIKey of 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is LNPBDXMDKVXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-16-6-9-20(10-7-16)33-26(2,3)25(32)30-12-4-5-17(15-30)23-21(24(28)31)14-18-13-19(27)8-11-22(18)29-23/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,28,31).
What are the key properties of 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).