5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide

C13H17BrN2O3 — CID 2574277

IUPAC5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H17BrN2O3/c1-9-4-6-16(7-5-9)12(17)8-15-13(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3,(H,15,18)
InChIKeyOQXRLXRQNNBYSI-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2574277) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
PubChem CID2574277
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H17BrN2O3/c1-9-4-6-16(7-5-9)12(17)8-15-13(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3,(H,15,18)
InChIKeyOQXRLXRQNNBYSI-UHFFFAOYSA-N
XLogP2.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (CID 2574277) is 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is CC1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OQXRLXRQNNBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-4-6-16(7-5-9)12(17)8-15-13(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3,(H,15,18).
What are the key properties of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2574277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).