1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone

C25H24F2N2O2 — CID 110093304

IUPAC1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C25H24F2N2O2/c26-22-9-4-10-23(27)21(22)14-18-11-12-24(28-15-18)19-6-5-13-29(16-19)25(30)17-31-20-7-2-1-3-8-20/h1-4,7-12,15,19H,5-6,13-14,16-17H2
InChIKeyLMLFSDJVTNMWEM-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.74
Rot. Bonds6

About 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone

1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110093304) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID110093304
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C25H24F2N2O2/c26-22-9-4-10-23(27)21(22)14-18-11-12-24(28-15-18)19-6-5-13-29(16-19)25(30)17-31-20-7-2-1-3-8-20/h1-4,7-12,15,19H,5-6,13-14,16-17H2
InChIKeyLMLFSDJVTNMWEM-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
CID 92615698
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819716
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(5-benzyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92616543
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
2-phenoxy-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 75870706
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92616535

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone (CID 110093304) is 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1.
What is the InChIKey of 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is LMLFSDJVTNMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c26-22-9-4-10-23(27)21(22)14-18-11-12-24(28-15-18)19-6-5-13-29(16-19)25(30)17-31-20-7-2-1-3-8-20/h1-4,7-12,15,19H,5-6,13-14,16-17H2.
What are the key properties of 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 422.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110093304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).