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

C21H20ClN3O4 — CID 171845879

IUPAC3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(CN4CCCOC4=O)nc3)c2Cl)C(=O)N1
InChIInChI=1S/C21H20ClN3O4/c22-19-15(3-1-4-16(19)17-7-8-18(26)24-20(17)27)13-5-6-14(23-11-13)12-25-9-2-10-29-21(25)28/h1,3-6,11,17H,2,7-10,12H2,(H,24,26,27)
InChIKeyJAQZAWQPPJXLNG-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.26
Rot. Bonds4

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

3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione (PubChem CID 171845879) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
PubChem CID171845879
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(CN4CCCOC4=O)nc3)c2Cl)C(=O)N1
InChIInChI=1S/C21H20ClN3O4/c22-19-15(3-1-4-16(19)17-7-8-18(26)24-20(17)27)13-5-6-14(23-11-13)12-25-9-2-10-29-21(25)28/h1,3-6,11,17H,2,7-10,12H2,(H,24,26,27)
InChIKeyJAQZAWQPPJXLNG-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846709
3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846527
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-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846772
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
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-[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-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171845993
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione (CID 171845879) is 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(CN4CCCOC4=O)nc3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The InChIKey is JAQZAWQPPJXLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c22-19-15(3-1-4-16(19)17-7-8-18(26)24-20(17)27)13-5-6-14(23-11-13)12-25-9-2-10-29-21(25)28/h1,3-6,11,17H,2,7-10,12H2,(H,24,26,27).
What are the key properties of 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione has a molecular weight of 413.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171845879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).