2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide

C19H24BrN3O3 — CID 112809978

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCCCC1)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C19H24BrN3O3/c1-13(17(24)21-8-5-11-22-9-3-2-4-10-22)23-18(25)15-7-6-14(20)12-16(15)19(23)26/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,24)
InChIKeyXQGMPSWWFXLCNC-UHFFFAOYSA-N
MW422.32 g/mol
LogP2.43
Rot. Bonds6

About 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 112809978) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID112809978
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCCCC1)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C19H24BrN3O3/c1-13(17(24)21-8-5-11-22-9-3-2-4-10-22)23-18(25)15-7-6-14(20)12-16(15)19(23)26/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,24)
InChIKeyXQGMPSWWFXLCNC-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)butanamide
CID 55723940
(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
CID 94614584
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]propanamide
CID 112818214
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-butan-2-ylurea
CID 108889731
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-(2-methylpropyl)urea
CID 108889727
N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928747
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 112833773
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538910

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 112809978) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide is CC(C(=O)NCCCN1CCCCC1)N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is XQGMPSWWFXLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-13(17(24)21-8-5-11-22-9-3-2-4-10-22)23-18(25)15-7-6-14(20)12-16(15)19(23)26/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,24).
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 422.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 112809978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).