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

C24H25FN2O2 — CID 137477747

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCC1=O
InChIInChI=1S/C24H25FN2O2/c1-15(2)23(27-13-4-3-8-22(27)28)18-11-12-21(26-24(18)29)17-10-9-16-6-5-7-20(25)19(16)14-17/h5-7,9-12,14-15,23H,3-4,8,13H2,1-2H3,(H,26,29)
InChIKeyPZNKQEOIVWPVTA-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.04
Rot. Bonds4

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

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one (PubChem CID 137477747) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one
PubChem CID137477747
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCC1=O
InChIInChI=1S/C24H25FN2O2/c1-15(2)23(27-13-4-3-8-22(27)28)18-11-12-21(26-24(18)29)17-10-9-16-6-5-7-20(25)19(16)14-17/h5-7,9-12,14-15,23H,3-4,8,13H2,1-2H3,(H,26,29)
InChIKeyPZNKQEOIVWPVTA-UHFFFAOYSA-N
XLogP5.04
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.04
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-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one (CID 137477747) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one is CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCC1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one?
The InChIKey is PZNKQEOIVWPVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15(2)23(27-13-4-3-8-22(27)28)18-11-12-21(26-24(18)29)17-10-9-16-6-5-7-20(25)19(16)14-17/h5-7,9-12,14-15,23H,3-4,8,13H2,1-2H3,(H,26,29).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one has a molecular weight of 392.47 g/mol, XLogP of 5.04, 4 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-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).