N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide

C13H19FN2O3 — CID 170409681

IUPACN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide
SMILESC=C(C(=O)NC1CCC(=O)NC1=O)C(C)(F)C(C)C
InChIInChI=1S/C13H19FN2O3/c1-7(2)13(4,14)8(3)11(18)15-9-5-6-10(17)16-12(9)19/h7,9H,3,5-6H2,1-2,4H3,(H,15,18)(H,16,17,19)
InChIKeyNFZZNBANWIONCG-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.85
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide (PubChem CID 170409681) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide
PubChem CID170409681
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide
SMILESC=C(C(=O)NC1CCC(=O)NC1=O)C(C)(F)C(C)C
InChIInChI=1S/C13H19FN2O3/c1-7(2)13(4,14)8(3)11(18)15-9-5-6-10(17)16-12(9)19/h7,9H,3,5-6H2,1-2,4H3,(H,15,18)(H,16,17,19)
InChIKeyNFZZNBANWIONCG-UHFFFAOYSA-N
XLogP0.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide (CID 170409681) is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide is C=C(C(=O)NC1CCC(=O)NC1=O)C(C)(F)C(C)C.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide?
The InChIKey is NFZZNBANWIONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-7(2)13(4,14)8(3)11(18)15-9-5-6-10(17)16-12(9)19/h7,9H,3,5-6H2,1-2,4H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide?
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide has a molecular weight of 270.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3,4-dimethyl-2-methylidenepentanamide is sourced from PubChem (CID 170409681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).