2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide

C23H28FN3O2 — CID 110238096

IUPAC2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
SMILESNC(=O)c1cc2cc(F)ccc2nc1C1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C23H28FN3O2/c24-18-8-9-20-17(12-18)13-19(23(25)29)22(26-20)16-7-4-10-27(14-16)21(28)11-15-5-2-1-3-6-15/h8-9,12-13,15-16H,1-7,10-11,14H2,(H2,25,29)
InChIKeyCMTGLISNYRISHV-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.15
Rot. Bonds4

About 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide

2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide (PubChem CID 110238096) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
PubChem CID110238096
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
SMILESNC(=O)c1cc2cc(F)ccc2nc1C1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C23H28FN3O2/c24-18-8-9-20-17(12-18)13-19(23(25)29)22(26-20)16-7-4-10-27(14-16)21(28)11-15-5-2-1-3-6-15/h8-9,12-13,15-16H,1-7,10-11,14H2,(H2,25,29)
InChIKeyCMTGLISNYRISHV-UHFFFAOYSA-N
XLogP4.15
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
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-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
2-cyclohexyl-1-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 53140070
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide (CID 110238096) is 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide is NC(=O)c1cc2cc(F)ccc2nc1C1CCCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The InChIKey is CMTGLISNYRISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-18-8-9-20-17(12-18)13-19(23(25)29)22(26-20)16-7-4-10-27(14-16)21(28)11-15-5-2-1-3-6-15/h8-9,12-13,15-16H,1-7,10-11,14H2,(H2,25,29).
What are the key properties of 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110238096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).