3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione

C21H23ClN2O3 — CID 171846214

IUPAC3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c1-24(2)12-13-27-15-8-6-14(7-9-15)16-4-3-5-17(20(16)22)18-10-11-19(25)23-21(18)26/h3-9,18H,10-13H2,1-2H3,(H,23,25,26)
InChIKeyBMVMIAOMYHPOMF-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.47
Rot. Bonds6

About 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846214) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846214
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C21H23ClN2O3/c1-24(2)12-13-27-15-8-6-14(7-9-15)16-4-3-5-17(20(16)22)18-10-11-19(25)23-21(18)26/h3-9,18H,10-13H2,1-2H3,(H,23,25,26)
InChIKeyBMVMIAOMYHPOMF-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.47
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

(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N-[(1E)-1-fluorobuta-1,3-dienyl]acetamide
CID 171846545
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915
(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-[(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
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
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione (CID 171846214) is 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione is CN(C)CCOc1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1.
What is the InChIKey of 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is BMVMIAOMYHPOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-24(2)12-13-27-15-8-6-14(7-9-15)16-4-3-5-17(20(16)22)18-10-11-19(25)23-21(18)26/h3-9,18H,10-13H2,1-2H3,(H,23,25,26).
What are the key properties of 3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 386.88 g/mol, XLogP of 3.47, 6 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-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).