2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

C26H31N3O3 — CID 108760668

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC1CCN(Cc2ccc(NC(=O)C(C(C)C)N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-17(2)23(29-25(31)21-6-4-5-7-22(21)26(29)32)24(30)27-20-10-8-19(9-11-20)16-28-14-12-18(3)13-15-28/h4-11,17-18,23H,12-16H2,1-3H3,(H,27,30)
InChIKeyXLFHOOGYTKVOFD-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.18
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (PubChem CID 108760668) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
PubChem CID108760668
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC1CCN(Cc2ccc(NC(=O)C(C(C)C)N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-17(2)23(29-25(31)21-6-4-5-7-22(21)26(29)32)24(30)27-20-10-8-19(9-11-20)16-28-14-12-18(3)13-15-28/h4-11,17-18,23H,12-16H2,1-3H3,(H,27,30)
InChIKeyXLFHOOGYTKVOFD-UHFFFAOYSA-N
XLogP4.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.18
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-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
CID 108737757
3-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]propanoic acid
CID 119252450
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978515
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-methylsulfanylphenyl)butanamide
CID 134124262
4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
2-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 4216596
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 3340600
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-sulfamoylphenyl)butanamide
CID 1306467
propan-2-yl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzoate
CID 2789060

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (CID 108760668) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide is CC1CCN(Cc2ccc(NC(=O)C(C(C)C)N3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is XLFHOOGYTKVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17(2)23(29-25(31)21-6-4-5-7-22(21)26(29)32)24(30)27-20-10-8-19(9-11-20)16-28-14-12-18(3)13-15-28/h4-11,17-18,23H,12-16H2,1-3H3,(H,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 433.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 108760668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).