3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane

C15H21ClN2O3 — CID 170953480

IUPAC3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane
SMILESCC.COc1cc(C)c(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C13H15ClN2O3.C2H6/c1-7-5-11(19-2)10(6-8(7)14)15-9-3-4-12(17)16-13(9)18;1-2/h5-6,9,15H,3-4H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyDOYYQLZOFAFANY-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.90
Rot. Bonds3

About 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane

3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane (PubChem CID 170953480) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane
PubChem CID170953480
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane
SMILESCC.COc1cc(C)c(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C13H15ClN2O3.C2H6/c1-7-5-11(19-2)10(6-8(7)14)15-9-3-4-12(17)16-13(9)18;1-2/h5-6,9,15H,3-4H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyDOYYQLZOFAFANY-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane (CID 170953480) is 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane is CC.COc1cc(C)c(Cl)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane?
The InChIKey is DOYYQLZOFAFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3.C2H6/c1-7-5-11(19-2)10(6-8(7)14)15-9-3-4-12(17)16-13(9)18;1-2/h5-6,9,15H,3-4H2,1-2H3,(H,16,17,18);1-2H3.
What are the key properties of 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane?
3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane has a molecular weight of 312.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane is sourced from PubChem (CID 170953480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).