6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one

C25H27FN2O2 — CID 137477920

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(CN1CCCCC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C25H27FN2O2/c1-16(2)21(15-28-13-4-3-8-24(28)29)19-11-12-23(27-25(19)30)18-10-9-17-6-5-7-22(26)20(17)14-18/h5-7,9-12,14,16,21H,3-4,8,13,15H2,1-2H3,(H,27,30)
InChIKeyUIDHZAOQJKHUSM-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.09
Rot. Bonds5

About 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one (PubChem CID 137477920) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one
PubChem CID137477920
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(CN1CCCCC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C25H27FN2O2/c1-16(2)21(15-28-13-4-3-8-24(28)29)19-11-12-23(27-25(19)30)18-10-9-17-6-5-7-22(26)20(17)14-18/h5-7,9-12,14,16,21H,3-4,8,13,15H2,1-2H3,(H,27,30)
InChIKeyUIDHZAOQJKHUSM-UHFFFAOYSA-N
XLogP5.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one (CID 137477920) is 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one is CC(C)C(CN1CCCCC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The InChIKey is UIDHZAOQJKHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-16(2)21(15-28-13-4-3-8-24(28)29)19-11-12-23(27-25(19)30)18-10-9-17-6-5-7-22(26)20(17)14-18/h5-7,9-12,14,16,21H,3-4,8,13,15H2,1-2H3,(H,27,30).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one has a molecular weight of 406.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137477920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).