(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione

C20H21ClN2O2 — CID 178099618

IUPAC(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
SMILESCC(C)Nc1ccc(-c2cccc([C@@H]3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-12(2)22-14-8-6-13(7-9-14)15-4-3-5-16(19(15)21)17-10-11-18(24)23-20(17)25/h3-9,12,17,22H,10-11H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyZGTBQEARJXWHIC-KRWDZBQOSA-N
MW356.85 g/mol
LogP4.35
Rot. Bonds4

About (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione

(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione (PubChem CID 178099618) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
PubChem CID178099618
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
SMILESCC(C)Nc1ccc(-c2cccc([C@@H]3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-12(2)22-14-8-6-13(7-9-14)15-4-3-5-16(19(15)21)17-10-11-18(24)23-20(17)25/h3-9,12,17,22H,10-11H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyZGTBQEARJXWHIC-KRWDZBQOSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
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-(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
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171845993
(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-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
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-[(2,2-dimethyl-5-oxomorpholin-4-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846416
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione (CID 178099618) is (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione is CC(C)Nc1ccc(-c2cccc([C@@H]3CCC(=O)NC3=O)c2Cl)cc1.
What is the InChIKey of (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is ZGTBQEARJXWHIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12(2)22-14-8-6-13(7-9-14)15-4-3-5-16(19(15)21)17-10-11-18(24)23-20(17)25/h3-9,12,17,22H,10-11H2,1-2H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione?
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 356.85 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178099618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).