2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide

C21H26FN3O2 — CID 67195508

IUPAC2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide
SMILESC=C1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26FN3O2/c1-13-17-11-14(22)12-18(20(23)26)19(17)21(27)25(13)16-7-9-24(10-8-16)15-5-3-2-4-6-15/h11-12,15-16H,1-10H2,(H2,23,26)
InChIKeyZQDXWWWGSFUMGU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.15
Rot. Bonds3

About 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide

2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide (PubChem CID 67195508) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide
PubChem CID67195508
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide
SMILESC=C1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26FN3O2/c1-13-17-11-14(22)12-18(20(23)26)19(17)21(27)25(13)16-7-9-24(10-8-16)15-5-3-2-4-6-15/h11-12,15-16H,1-10H2,(H2,23,26)
InChIKeyZQDXWWWGSFUMGU-UHFFFAOYSA-N
XLogP3.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclohexylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968466
1-carbamoyl-2-[1-(4,4-dimethylcyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-1H-isoindole-4-carboxylic acid
CID 90112930
2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide
CID 78044727
3-cyclohexyl-6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-ium-3-carboxamide
CID 90731648
1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
CID 69421394
1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one
CID 159541442
2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide
CID 71239676
1-(1-cyclooctylpiperidin-4-yl)-2-methylidene-4-oxo-5H-1-benzazepine-8-carboxylic acid
CID 158714002
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 14274184
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258
methyl 1-(1-cyclooctylpiperidin-4-yl)-2-methylidene-4-oxo-5H-1-benzazepine-8-carboxylate
CID 158714004

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide (CID 67195508) is 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide is C=C1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide?
The InChIKey is ZQDXWWWGSFUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-13-17-11-14(22)12-18(20(23)26)19(17)21(27)25(13)16-7-9-24(10-8-16)15-5-3-2-4-6-15/h11-12,15-16H,1-10H2,(H2,23,26).
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide?
2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methylidene-3-oxoisoindole-4-carboxamide is sourced from PubChem (CID 67195508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).