4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide

C21H24BrN3O4 — CID 46540341

IUPAC4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H24BrN3O4/c22-14-5-6-16-17(12-14)21(29)25(20(16)28)9-1-2-18(26)23-15-7-10-24(11-8-15)19(27)13-3-4-13/h5-6,12-13,15H,1-4,7-11H2,(H,23,26)
InChIKeyGIPCMOLGSQIDLV-UHFFFAOYSA-N
MW462.34 g/mol
LogP2.34
Rot. Bonds6

About 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide (PubChem CID 46540341) has the molecular formula C21H24BrN3O4 and a molecular weight of 462.34 g/mol. Its IUPAC name is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide
PubChem CID46540341
Molecular FormulaC21H24BrN3O4
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H24BrN3O4/c22-14-5-6-16-17(12-14)21(29)25(20(16)28)9-1-2-18(26)23-15-7-10-24(11-8-15)19(27)13-3-4-13/h5-6,12-13,15H,1-4,7-11H2,(H,23,26)
InChIKeyGIPCMOLGSQIDLV-UHFFFAOYSA-N
XLogP2.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-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

ethyl 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 46532388
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)butanamide
CID 55723940
5-bromo-2-[4-oxo-4-(4-propanoylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 108536809
prop-2-enyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 108562084
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119413337
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
CID 78803344
5-bromo-2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192237
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512738
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
CID 55477930

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide (CID 46540341) is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide is O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide?
The InChIKey is GIPCMOLGSQIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4/c22-14-5-6-16-17(12-14)21(29)25(20(16)28)9-1-2-18(26)23-15-7-10-24(11-8-15)19(27)13-3-4-13/h5-6,12-13,15H,1-4,7-11H2,(H,23,26).
What are the key properties of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide?
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide has a molecular weight of 462.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 46540341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).