3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione

C23H19ClN2O3 — CID 171846551

IUPAC3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(Cn4ccccc4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C23H19ClN2O3/c24-22-17(4-3-5-18(22)19-11-12-20(27)25-23(19)29)16-9-7-15(8-10-16)14-26-13-2-1-6-21(26)28/h1-10,13,19H,11-12,14H2,(H,25,27,29)
InChIKeyVAHVYBSMSOIIQE-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.74
Rot. Bonds4

About 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846551) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846551
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(Cn4ccccc4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C23H19ClN2O3/c24-22-17(4-3-5-18(22)19-11-12-20(27)25-23(19)29)16-9-7-15(8-10-16)14-26-13-2-1-6-21(26)28/h1-10,13,19H,11-12,14H2,(H,25,27,29)
InChIKeyVAHVYBSMSOIIQE-UHFFFAOYSA-N
XLogP3.74
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
CID 171845963
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-[2-chloro-3-[4-[(2,2-dimethyl-5-oxomorpholin-4-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846416
3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846772
1-[2-[4-[2-chloro-3-(2-hydroxy-6-oxopiperidin-3-yl)phenyl]phenyl]ethyl]pyridin-2-one
CID 175639370
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione (CID 171846551) is 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(Cn4ccccc4=O)cc3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is VAHVYBSMSOIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-22-17(4-3-5-18(22)19-11-12-20(27)25-23(19)29)16-9-7-15(8-10-16)14-26-13-2-1-6-21(26)28/h1-10,13,19H,11-12,14H2,(H,25,27,29).
What are the key properties of 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 406.87 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).