2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide

C24H23F2N3O3 — CID 110237812

IUPAC2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1
InChIInChI=1S/C24H23F2N3O3/c1-14(32-21-7-6-17(25)13-19(21)26)24(31)29-10-8-15(9-11-29)22-18(23(27)30)12-16-4-2-3-5-20(16)28-22/h2-7,12-15H,8-11H2,1H3,(H2,27,30)
InChIKeyOGNWJHBQNMKEMJ-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide

2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 110237812) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
PubChem CID110237812
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1
InChIInChI=1S/C24H23F2N3O3/c1-14(32-21-7-6-17(25)13-19(21)26)24(31)29-10-8-15(9-11-29)22-18(23(27)30)12-16-4-2-3-5-20(16)28-22/h2-7,12-15H,8-11H2,1H3,(H2,27,30)
InChIKeyOGNWJHBQNMKEMJ-UHFFFAOYSA-N
XLogP3.79
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237795
2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237800
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725
(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 124753479
2-(3,4-dichlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836556
2-(3-chlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836372
2-(4-bromophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836343
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (CID 110237812) is 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is CC(Oc1ccc(F)cc1F)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1.
What is the InChIKey of 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is OGNWJHBQNMKEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-14(32-21-7-6-17(25)13-19(21)26)24(31)29-10-8-15(9-11-29)22-18(23(27)30)12-16-4-2-3-5-20(16)28-22/h2-7,12-15H,8-11H2,1H3,(H2,27,30).
What are the key properties of 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110237812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).