3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione

C25H27ClN2O3 — CID 171846090

IUPAC3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESCC1(C)CCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C(=O)C1
InChIInChI=1S/C25H27ClN2O3/c1-25(2)12-13-28(22(30)14-25)15-16-6-8-17(9-7-16)18-4-3-5-19(23(18)26)20-10-11-21(29)27-24(20)31/h3-9,20H,10-15H2,1-2H3,(H,27,29,31)
InChIKeyJKUWQKSPAAOIGS-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.68
Rot. Bonds4

About 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846090) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846090
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
SMILESCC1(C)CCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C(=O)C1
InChIInChI=1S/C25H27ClN2O3/c1-25(2)12-13-28(22(30)14-25)15-16-6-8-17(9-7-16)18-4-3-5-19(23(18)26)20-10-11-21(29)27-24(20)31/h3-9,20H,10-15H2,1-2H3,(H,27,29,31)
InChIKeyJKUWQKSPAAOIGS-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
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
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
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-[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

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione (CID 171846090) is 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione is CC1(C)CCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C(=O)C1.
What is the InChIKey of 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is JKUWQKSPAAOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-25(2)12-13-28(22(30)14-25)15-16-6-8-17(9-7-16)18-4-3-5-19(23(18)26)20-10-11-21(29)27-24(20)31/h3-9,20H,10-15H2,1-2H3,(H,27,29,31).
What are the key properties of 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 438.96 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).