3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione

C22H20ClN3O4 — CID 171846527

IUPAC3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(N4C(=O)OCCC45CC5)nc3)c2Cl)C(=O)N1
InChIInChI=1S/C22H20ClN3O4/c23-19-14(2-1-3-15(19)16-5-7-18(27)25-20(16)28)13-4-6-17(24-12-13)26-21(29)30-11-10-22(26)8-9-22/h1-4,6,12,16H,5,7-11H2,(H,25,27,28)
InChIKeyJPYPVROKHWBIMH-UHFFFAOYSA-N
MW425.87 g/mol
LogP3.80
Rot. Bonds3

About 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione (PubChem CID 171846527) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione
PubChem CID171846527
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(N4C(=O)OCCC45CC5)nc3)c2Cl)C(=O)N1
InChIInChI=1S/C22H20ClN3O4/c23-19-14(2-1-3-15(19)16-5-7-18(27)25-20(16)28)13-4-6-17(24-12-13)26-21(29)30-11-10-22(26)8-9-22/h1-4,6,12,16H,5,7-11H2,(H,25,27,28)
InChIKeyJPYPVROKHWBIMH-UHFFFAOYSA-N
XLogP3.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-3-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171845879
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-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846709
(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-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915
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-[(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-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(N4C(=O)OCCC45CC5)nc3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione?
The InChIKey is JPYPVROKHWBIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c23-19-14(2-1-3-15(19)16-5-7-18(27)25-20(16)28)13-4-6-17(24-12-13)26-21(29)30-11-10-22(26)8-9-22/h1-4,6,12,16H,5,7-11H2,(H,25,27,28).
What are the key properties of 3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione has a molecular weight of 425.87 g/mol, XLogP of 3.80, 3 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-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).