3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

C23H22BrN3O4 — CID 30442450

IUPAC3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H22BrN3O4/c24-15-8-9-16-18(14-15)23(31)27(22(16)30)13-10-20(28)25-19-7-3-2-6-17(19)21(29)26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,28)
InChIKeyVJHMFSZYQHHYOG-UHFFFAOYSA-N
MW484.35 g/mol
LogP3.70
Rot. Bonds5

About 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 30442450) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID30442450
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H22BrN3O4/c24-15-8-9-16-18(14-15)23(31)27(22(16)30)13-10-20(28)25-19-7-3-2-6-17(19)21(29)26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,28)
InChIKeyVJHMFSZYQHHYOG-UHFFFAOYSA-N
XLogP3.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 53.70
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

3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 51510540
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 30428123
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55677050
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (CID 30442450) is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is VJHMFSZYQHHYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c24-15-8-9-16-18(14-15)23(31)27(22(16)30)13-10-20(28)25-19-7-3-2-6-17(19)21(29)26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,28).
What are the key properties of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 484.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 30442450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).