3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione

C12H12ClFN2O2 — CID 81146324

IUPAC3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCc2ccc(F)c(Cl)c2)C(=O)N1
InChIInChI=1S/C12H12ClFN2O2/c13-8-5-7(1-2-9(8)14)6-15-10-3-4-11(17)16-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17,18)
InChIKeyRPYDOXOXJUPHCG-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.37
Rot. Bonds3

About 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione

3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione (PubChem CID 81146324) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
PubChem CID81146324
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCc2ccc(F)c(Cl)c2)C(=O)N1
InChIInChI=1S/C12H12ClFN2O2/c13-8-5-7(1-2-9(8)14)6-15-10-3-4-11(17)16-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17,18)
InChIKeyRPYDOXOXJUPHCG-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.37
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

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4884539
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-5-oxoprolinamide
CID 49864819
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione (CID 81146324) is 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione is O=C1CCC(NCc2ccc(F)c(Cl)c2)C(=O)N1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione?
The InChIKey is RPYDOXOXJUPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-8-5-7(1-2-9(8)14)6-15-10-3-4-11(17)16-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17,18).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione?
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione has a molecular weight of 270.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione is sourced from PubChem (CID 81146324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).