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

C25H29N3O3 — CID 2409938

IUPAC2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2C1=O
InChIInChI=1S/C25H29N3O3/c1-17(2)12-15-28-24(30)19-11-10-18(16-20(19)25(28)31)23(29)26-21-8-4-5-9-22(21)27-13-6-3-7-14-27/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)
InChIKeyNVKKNWONMYIRPO-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.57
Rot. Bonds6

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

2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide (PubChem CID 2409938) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide
PubChem CID2409938
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2C1=O
InChIInChI=1S/C25H29N3O3/c1-17(2)12-15-28-24(30)19-11-10-18(16-20(19)25(28)31)23(29)26-21-8-4-5-9-22(21)27-13-6-3-7-14-27/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)
InChIKeyNVKKNWONMYIRPO-UHFFFAOYSA-N
XLogP4.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462
2-(3-methylbutyl)-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341640
N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 2977032
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate
CID 8740525
2-(3-methylbutyl)-1,3-dioxo-N-(3-sulfamoylphenyl)isoindole-5-carboxamide
CID 3948972
2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 17483169

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide (CID 2409938) is 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide is CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2C1=O.
What is the InChIKey of 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide?
The InChIKey is NVKKNWONMYIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17(2)12-15-28-24(30)19-11-10-18(16-20(19)25(28)31)23(29)26-21-8-4-5-9-22(21)27-13-6-3-7-14-27/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide?
2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 2409938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).