7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one

C17H19FN2O2 — CID 158779317

IUPAC7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(C(C)C)ccc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C17H19FN2O2/c1-9(2)11-5-6-13(18)15-12(11)8-20(17(15)22)14-7-4-10(3)19-16(14)21/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyGPGXCQNBDWJNJB-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.70
Rot. Bonds2

About 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one

7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one (PubChem CID 158779317) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
PubChem CID158779317
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(C(C)C)ccc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C17H19FN2O2/c1-9(2)11-5-6-13(18)15-12(11)8-20(17(15)22)14-7-4-10(3)19-16(14)21/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyGPGXCQNBDWJNJB-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one with MolForge

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Related Compounds

3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570
5-tert-butyl-7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 161388015
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
CID 170079780
5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 165102713
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
5-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167257458
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167146482
3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171641221

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one (CID 158779317) is 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one is C=C1CCC(N2Cc3c(C(C)C)ccc(F)c3C2=O)C(=O)N1.
What is the InChIKey of 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one?
The InChIKey is GPGXCQNBDWJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-9(2)11-5-6-13(18)15-12(11)8-20(17(15)22)14-7-4-10(3)19-16(14)21/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one?
7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one has a molecular weight of 302.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 158779317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).