1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione

C12H13ClN2O2 — CID 62932936

IUPAC1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2cc(N)ccc2Cl)C(=O)C1
InChIInChI=1S/C12H13ClN2O2/c1-7-4-11(16)15(12(17)5-7)10-6-8(14)2-3-9(10)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGPZJROJVUDRGAK-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.21
Rot. Bonds1

About 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione

1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione (PubChem CID 62932936) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione
PubChem CID62932936
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2cc(N)ccc2Cl)C(=O)C1
InChIInChI=1S/C12H13ClN2O2/c1-7-4-11(16)15(12(17)5-7)10-6-8(14)2-3-9(10)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGPZJROJVUDRGAK-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione (CID 62932936) is 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione is CC1CC(=O)N(c2cc(N)ccc2Cl)C(=O)C1.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is GPZJROJVUDRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7-4-11(16)15(12(17)5-7)10-6-8(14)2-3-9(10)13/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione?
1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 252.70 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorophenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).