2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide

C14H21BrN2O2 — CID 106853640

IUPAC2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
SMILESCC(CNC(=O)c1ccoc1Br)CN1CCCCC1
InChIInChI=1S/C14H21BrN2O2/c1-11(10-17-6-3-2-4-7-17)9-16-14(18)12-5-8-19-13(12)15/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,18)
InChIKeyKAVBMFKFZLCWIS-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.89
Rot. Bonds5

About 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide

2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide (PubChem CID 106853640) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
PubChem CID106853640
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
SMILESCC(CNC(=O)c1ccoc1Br)CN1CCCCC1
InChIInChI=1S/C14H21BrN2O2/c1-11(10-17-6-3-2-4-7-17)9-16-14(18)12-5-8-19-13(12)15/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,18)
InChIKeyKAVBMFKFZLCWIS-UHFFFAOYSA-N
XLogP2.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide (CID 106853640) is 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide is CC(CNC(=O)c1ccoc1Br)CN1CCCCC1.
What is the InChIKey of 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide?
The InChIKey is KAVBMFKFZLCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11(10-17-6-3-2-4-7-17)9-16-14(18)12-5-8-19-13(12)15/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide?
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106853640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).