N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C28H33N3O4 — CID 55895252

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cc(C(=O)N3CC(C)CC(C)C3)ccc1C)C2=O
InChIInChI=1S/C28H33N3O4/c1-17-7-10-22-23(13-17)28(35)31(27(22)34)11-5-6-25(32)29-24-14-21(9-8-20(24)4)26(33)30-15-18(2)12-19(3)16-30/h7-10,13-14,18-19H,5-6,11-12,15-16H2,1-4H3,(H,29,32)
InChIKeyMZQGCLIDTCDLIV-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.44
Rot. Bonds6

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 55895252) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID55895252
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cc(C(=O)N3CC(C)CC(C)C3)ccc1C)C2=O
InChIInChI=1S/C28H33N3O4/c1-17-7-10-22-23(13-17)28(35)31(27(22)34)11-5-6-25(32)29-24-14-21(9-8-20(24)4)26(33)30-15-18(2)12-19(3)16-30/h7-10,13-14,18-19H,5-6,11-12,15-16H2,1-4H3,(H,29,32)
InChIKeyMZQGCLIDTCDLIV-UHFFFAOYSA-N
XLogP4.44
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide 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

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55735354
5-methyl-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192106
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
2-butyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 8914540
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 46680128

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 55895252) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cc(C(=O)N3CC(C)CC(C)C3)ccc1C)C2=O.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is MZQGCLIDTCDLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-17-7-10-22-23(13-17)28(35)31(27(22)34)11-5-6-25(32)29-24-14-21(9-8-20(24)4)26(33)30-15-18(2)12-19(3)16-30/h7-10,13-14,18-19H,5-6,11-12,15-16H2,1-4H3,(H,29,32).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 475.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 55895252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).