5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one

C14H16FN3O — CID 64655138

IUPAC5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
SMILES[H]/N=C1\c2cc(F)ccc2CN1C1CCC(=O)N(C)C1
InChIInChI=1S/C14H16FN3O/c1-17-8-11(4-5-13(17)19)18-7-9-2-3-10(15)6-12(9)14(18)16/h2-3,6,11,16H,4-5,7-8H2,1H3/b16-14+
InChIKeyQUQXUWVUSRBSJP-JQIJEIRASA-N
MW261.30 g/mol
LogP1.59
Rot. Bonds1

About 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one

5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one (PubChem CID 64655138) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
PubChem CID64655138
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
SMILES[H]/N=C1\c2cc(F)ccc2CN1C1CCC(=O)N(C)C1
InChIInChI=1S/C14H16FN3O/c1-17-8-11(4-5-13(17)19)18-7-9-2-3-10(15)6-12(9)14(18)16/h2-3,6,11,16H,4-5,7-8H2,1H3/b16-14+
InChIKeyQUQXUWVUSRBSJP-JQIJEIRASA-N
XLogP1.59
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one (CID 64655138) is 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one is [H]/N=C1\c2cc(F)ccc2CN1C1CCC(=O)N(C)C1.
What is the InChIKey of 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one?
The InChIKey is QUQXUWVUSRBSJP-JQIJEIRASA-N. The full InChI is InChI=1S/C14H16FN3O/c1-17-8-11(4-5-13(17)19)18-7-9-2-3-10(15)6-12(9)14(18)16/h2-3,6,11,16H,4-5,7-8H2,1H3/b16-14+.
What are the key properties of 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one?
5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 64655138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).