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

C26H30N2O3 — CID 143930322

IUPACbenzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCO)CC1=O.c1ccccc1
InChIInChI=1S/C20H24N2O3.C6H6/c1-14(22-10-8-15(9-11-23)12-20(22)25)16-2-4-17(5-3-16)18-6-7-19(24)21-13-18;1-2-4-6-5-3-1/h2-7,13-15,23H,8-12H2,1H3,(H,21,24);1-6H
InChIKeyJXJQKLXKNYQYGV-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.41
Rot. Bonds5

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

benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one (PubChem CID 143930322) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Namebenzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
PubChem CID143930322
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Namebenzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCO)CC1=O.c1ccccc1
InChIInChI=1S/C20H24N2O3.C6H6/c1-14(22-10-8-15(9-11-23)12-20(22)25)16-2-4-17(5-3-16)18-6-7-19(24)21-13-18;1-2-4-6-5-3-1/h2-7,13-15,23H,8-12H2,1H3,(H,21,24);1-6H
InChIKeyJXJQKLXKNYQYGV-UHFFFAOYSA-N
XLogP4.41
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one (CID 143930322) is benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one is CC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CCO)CC1=O.c1ccccc1.
What is the InChIKey of benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
The InChIKey is JXJQKLXKNYQYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.C6H6/c1-14(22-10-8-15(9-11-23)12-20(22)25)16-2-4-17(5-3-16)18-6-7-19(24)21-13-18;1-2-4-6-5-3-1/h2-7,13-15,23H,8-12H2,1H3,(H,21,24);1-6H.
What are the key properties of benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one?
benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.41, 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-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 143930322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).