N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide

C16H16BrN3O4 — CID 110838742

IUPACN-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC(=O)C1CCNCC1
InChIInChI=1S/C16H16BrN3O4/c17-10-1-2-11-12(7-10)16(24)20(15(11)23)8-13(21)19-14(22)9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2,(H,19,21,22)
InChIKeyNBLGGKLVBMMBRV-UHFFFAOYSA-N
MW394.23 g/mol
LogP0.69
Rot. Bonds3

About N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide

N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide (PubChem CID 110838742) has the molecular formula C16H16BrN3O4 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide
PubChem CID110838742
Molecular FormulaC16H16BrN3O4
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC NameN-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC(=O)C1CCNCC1
InChIInChI=1S/C16H16BrN3O4/c17-10-1-2-11-12(7-10)16(24)20(15(11)23)8-13(21)19-14(22)9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2,(H,19,21,22)
InChIKeyNBLGGKLVBMMBRV-UHFFFAOYSA-N
XLogP0.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide 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

2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-2-cyclopropylacetic acid
CID 119213231
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119416655
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119416654
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 120657782
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2978035
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606
N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-3-methoxypropanamide
CID 108542690
5-bromo-2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119471985

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide (CID 110838742) is N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide is O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is NBLGGKLVBMMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4/c17-10-1-2-11-12(7-10)16(24)20(15(11)23)8-13(21)19-14(22)9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2,(H,19,21,22).
What are the key properties of N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide?
N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110838742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).