6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one

C24H24FN3O3 — CID 69084595

IUPAC6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-11-13-27-24(31-2)23(21)20-7-5-8-22(29)28(20)15-16-9-10-18(25)17(14-16)19-6-3-4-12-26-19/h3-4,6,9-14,20H,5,7-8,15H2,1-2H3
InChIKeyITIAEHHNBTWJML-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.55
Rot. Bonds6

About 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one

6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 69084595) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
PubChem CID69084595
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-11-13-27-24(31-2)23(21)20-7-5-8-22(29)28(20)15-16-9-10-18(25)17(14-16)19-6-3-4-12-26-19/h3-4,6,9-14,20H,5,7-8,15H2,1-2H3
InChIKeyITIAEHHNBTWJML-UHFFFAOYSA-N
XLogP4.55
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one (CID 69084595) is 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one is COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1.
What is the InChIKey of 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The InChIKey is ITIAEHHNBTWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-30-21-11-13-27-24(31-2)23(21)20-7-5-8-22(29)28(20)15-16-9-10-18(25)17(14-16)19-6-3-4-12-26-19/h3-4,6,9-14,20H,5,7-8,15H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 421.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxy-3-pyridinyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69084595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).