3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione

C14H15Cl2N3O2 — CID 171541166

IUPAC3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
SMILESNC1CN(c2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)C1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-3-8(19-5-7(17)6-19)4-11(16)13(10)9-1-2-12(20)18-14(9)21/h3-4,7,9H,1-2,5-6,17H2,(H,18,20,21)
InChIKeyHRAYBQQCYPCTIB-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.66
Rot. Bonds2

About 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione

3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione (PubChem CID 171541166) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
PubChem CID171541166
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
SMILESNC1CN(c2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)C1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-3-8(19-5-7(17)6-19)4-11(16)13(10)9-1-2-12(20)18-14(9)21/h3-4,7,9H,1-2,5-6,17H2,(H,18,20,21)
InChIKeyHRAYBQQCYPCTIB-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.66
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-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione (CID 171541166) is 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione is NC1CN(c2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)C1.
What is the InChIKey of 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione?
The InChIKey is HRAYBQQCYPCTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-10-3-8(19-5-7(17)6-19)4-11(16)13(10)9-1-2-12(20)18-14(9)21/h3-4,7,9H,1-2,5-6,17H2,(H,18,20,21).
What are the key properties of 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione?
3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione has a molecular weight of 328.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).