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'}

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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).