benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one

C28H34N2O3 — CID 143832767

IUPACbenzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)O)CC1=O.c1ccccc1
InChIInChI=1S/C22H28N2O3.C6H6/c1-15(24-11-10-16(12-21(24)26)13-22(2,3)27)17-4-6-18(7-5-17)19-8-9-20(25)23-14-19;1-2-4-6-5-3-1/h4-9,14-16,27H,10-13H2,1-3H3,(H,23,25);1-6H
InChIKeyFJDXACOSBNMLDB-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.19
Rot. Bonds5

About benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one

benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one (PubChem CID 143832767) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Namebenzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
PubChem CID143832767
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Namebenzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)O)CC1=O.c1ccccc1
InChIInChI=1S/C22H28N2O3.C6H6/c1-15(24-11-10-16(12-21(24)26)13-22(2,3)27)17-4-6-18(7-5-17)19-8-9-20(25)23-14-19;1-2-4-6-5-3-1/h4-9,14-16,27H,10-13H2,1-3H3,(H,23,25);1-6H
InChIKeyFJDXACOSBNMLDB-UHFFFAOYSA-N
XLogP5.19
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
CID 143930322
benzene;6-[2-hydroxy-2-(methylsulfanylamino)propyl]-3-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 143930274
6-[2-hydroxy-2-(methylsulfanylamino)propyl]-3-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 143930275
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
4-(3-hydroxypropyl)-1-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-4-phenyl-1,3-diazinan-2-one
CID 68783232
fluorobenzene;6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-hydroxy-2-methylpyridin-1-ium-4-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 143755356
benzene;3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755585
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
2,2-dimethyl-3-[2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
CID 66600982
(6R)-6-(2,2-dimethylbut-3-ynyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 73427554
benzene;3-[1-[4-(1-ethyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755797
3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755412

Frequently Asked Questions

What is the IUPAC name of benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one (CID 143832767) is benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one is CC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)O)CC1=O.c1ccccc1.
What is the InChIKey of benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The InChIKey is FJDXACOSBNMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.C6H6/c1-15(24-11-10-16(12-21(24)26)13-22(2,3)27)17-4-6-18(7-5-17)19-8-9-20(25)23-14-19;1-2-4-6-5-3-1/h4-9,14-16,27H,10-13H2,1-3H3,(H,23,25);1-6H.
What are the key properties of benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one has a molecular weight of 446.59 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 143832767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).