1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

C26H32FN3O4 — CID 124974621

IUPAC1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H32FN3O4/c1-18-14-21(31)16-25(33)30(18)17-26(34)29-11-5-4-8-23(29)19-9-12-28(13-10-19)24(32)15-20-6-2-3-7-22(20)27/h2-3,6-7,14,16,19,23,31H,4-5,8-13,15,17H2,1H3/t23-/m0/s1
InChIKeyKRXJACDKNQUEAU-QHCPKHFHSA-N
MW469.56 g/mol
LogP2.86
Rot. Bonds5

About 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 124974621) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID124974621
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC Name1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H32FN3O4/c1-18-14-21(31)16-25(33)30(18)17-26(34)29-11-5-4-8-23(29)19-9-12-28(13-10-19)24(32)15-20-6-2-3-7-22(20)27/h2-3,6-7,14,16,19,23,31H,4-5,8-13,15,17H2,1H3/t23-/m0/s1
InChIKeyKRXJACDKNQUEAU-QHCPKHFHSA-N
XLogP2.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-[2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 110252818
1-[(2S)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92632425
1-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110252795
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 129453393
1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
CID 124609289
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (CID 124974621) is 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is KRXJACDKNQUEAU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-18-14-21(31)16-25(33)30(18)17-26(34)29-11-5-4-8-23(29)19-9-12-28(13-10-19)24(32)15-20-6-2-3-7-22(20)27/h2-3,6-7,14,16,19,23,31H,4-5,8-13,15,17H2,1H3/t23-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 469.56 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 124974621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).