3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione

C14H16F2N2O2 — CID 115524066

IUPAC3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2ccc(C(F)F)cc2)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-18-12(19)7-6-11(14(18)20)17-8-9-2-4-10(5-3-9)13(15)16/h2-5,11,13,17H,6-8H2,1H3
InChIKeyCIMJSASMDYYSQJ-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.86
Rot. Bonds4

About 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione

3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione (PubChem CID 115524066) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
PubChem CID115524066
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2ccc(C(F)F)cc2)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-18-12(19)7-6-11(14(18)20)17-8-9-2-4-10(5-3-9)13(15)16/h2-5,11,13,17H,6-8H2,1H3
InChIKeyCIMJSASMDYYSQJ-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.86
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

2-fluoro-5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]benzonitrile
CID 107880293
3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104791896
4-fluoro-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]benzonitrile
CID 107904466
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
CID 115494415
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
CID 83090356
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
N-[[4-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115523970
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
CID 66364542

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione (CID 115524066) is 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCc2ccc(C(F)F)cc2)C1=O.
What is the InChIKey of 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione?
The InChIKey is CIMJSASMDYYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-18-12(19)7-6-11(14(18)20)17-8-9-2-4-10(5-3-9)13(15)16/h2-5,11,13,17H,6-8H2,1H3.
What are the key properties of 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione?
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione has a molecular weight of 282.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 115524066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).