2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide

C14H15Br3N2O2 — CID 62660463

IUPAC2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
SMILESO=CC1CCCN(CC(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C14H15Br3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)
InChIKeyFGKPONJCLHRVGU-UHFFFAOYSA-N
MW483.00 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide

2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 62660463) has the molecular formula C14H15Br3N2O2 and a molecular weight of 483.00 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
PubChem CID62660463
Molecular FormulaC14H15Br3N2O2
Molecular Weight483.00 g/mol
Exact Mass479.87
IUPAC Name2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
SMILESO=CC1CCCN(CC(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C14H15Br3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)
InChIKeyFGKPONJCLHRVGU-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 63281986
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
CID 62654217
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62654573
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide (CID 62660463) is 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide is O=CC1CCCN(CC(=O)Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is FGKPONJCLHRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,8-9H,1-3,6-7H2,(H,18,21).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 483.00 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 62660463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).