2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide

C21H21N3O3 — CID 26289690

IUPAC2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C21H21N3O3/c1-23-20(26)17-10-5-14(13-18(17)21(23)27)19(25)22-15-6-8-16(9-7-15)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)
InChIKeyPNZLSQZTSPNGOG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.15
Rot. Bonds3

About 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide

2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide (PubChem CID 26289690) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
PubChem CID26289690
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C21H21N3O3/c1-23-20(26)17-10-5-14(13-18(17)21(23)27)19(25)22-15-6-8-16(9-7-15)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)
InChIKeyPNZLSQZTSPNGOG-UHFFFAOYSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
CID 153454442
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide (CID 26289690) is 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2C1=O.
What is the InChIKey of 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The InChIKey is PNZLSQZTSPNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-23-20(26)17-10-5-14(13-18(17)21(23)27)19(25)22-15-6-8-16(9-7-15)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25).
What are the key properties of 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide?
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 26289690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).