1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one

C24H23ClN2O3 — CID 175639370

IUPAC1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one
SMILESO=C1CCC(c2cccc(-c3ccc(CCn4ccccc4=O)cc3)c2Cl)C(O)N1
InChIInChI=1S/C24H23ClN2O3/c25-23-18(4-3-5-19(23)20-11-12-21(28)26-24(20)30)17-9-7-16(8-10-17)13-15-27-14-2-1-6-22(27)29/h1-10,14,20,24,30H,11-13,15H2,(H,26,28)
InChIKeyWEIOZLWMZYKFRF-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one

1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one (PubChem CID 175639370) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one
PubChem CID175639370
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one
SMILESO=C1CCC(c2cccc(-c3ccc(CCn4ccccc4=O)cc3)c2Cl)C(O)N1
InChIInChI=1S/C24H23ClN2O3/c25-23-18(4-3-5-19(23)20-11-12-21(28)26-24(20)30)17-9-7-16(8-10-17)13-15-27-14-2-1-6-22(27)29/h1-10,14,20,24,30H,11-13,15H2,(H,26,28)
InChIKeyWEIOZLWMZYKFRF-UHFFFAOYSA-N
XLogP3.72
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one (CID 175639370) is 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one is O=C1CCC(c2cccc(-c3ccc(CCn4ccccc4=O)cc3)c2Cl)C(O)N1.
What is the InChIKey of 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one?
The InChIKey is WEIOZLWMZYKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-23-18(4-3-5-19(23)20-11-12-21(28)26-24(20)30)17-9-7-16(8-10-17)13-15-27-14-2-1-6-22(27)29/h1-10,14,20,24,30H,11-13,15H2,(H,26,28).
What are the key properties of 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one?
1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one has a molecular weight of 422.91 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 175639370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).