(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione

C11H10Cl2N2O2 — CID 39221355

IUPAC(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c12-7-2-1-6(5-8(7)13)15-10(16)4-3-9(14)11(15)17/h1-2,5,9H,3-4,14H2/t9-/m0/s1
InChIKeyUNLCIPDFHDIYQE-VIFPVBQESA-N
MW273.12 g/mol
LogP1.97
Rot. Bonds1

About (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione

(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione (PubChem CID 39221355) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
PubChem CID39221355
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c12-7-2-1-6(5-8(7)13)15-10(16)4-3-9(14)11(15)17/h1-2,5,9H,3-4,14H2/t9-/m0/s1
InChIKeyUNLCIPDFHDIYQE-VIFPVBQESA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.97
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

1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 23321841
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 12900458
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502
2,6-dichloro-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 15043807
(1R,2S,6R,7S)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7120920
(1S,2S,6R,7R)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 21481119
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 100638454
1-cyclopentyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 60836611
(1R,2R,6R,7R,8S,10R)-4-(3,4-dichlorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99723681

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione (CID 39221355) is (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione is N[C@H]1CCC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione?
The InChIKey is UNLCIPDFHDIYQE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-7-2-1-6(5-8(7)13)15-10(16)4-3-9(14)11(15)17/h1-2,5,9H,3-4,14H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione?
(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione has a molecular weight of 273.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 39221355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).