2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide

C13H19BrN2O3 — CID 106855106

IUPAC2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ccoc1Br
InChIInChI=1S/C13H19BrN2O3/c14-12-11(4-9-19-12)13(17)16-5-1-8-18-10-2-6-15-7-3-10/h4,9-10,15H,1-3,5-8H2,(H,16,17)
InChIKeyNJWWSQUYQHZIHG-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.93
Rot. Bonds6

About 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide

2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide (PubChem CID 106855106) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
PubChem CID106855106
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ccoc1Br
InChIInChI=1S/C13H19BrN2O3/c14-12-11(4-9-19-12)13(17)16-5-1-8-18-10-2-6-15-7-3-10/h4,9-10,15H,1-3,5-8H2,(H,16,17)
InChIKeyNJWWSQUYQHZIHG-UHFFFAOYSA-N
XLogP1.93
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-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

3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
3-hydroxy-N-(3-piperidin-4-yloxypropyl)pyridine-2-carboxamide
CID 63870452
4-hydroxy-2-methyl-N-(3-piperidin-4-yloxypropyl)benzamide
CID 107672054
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81454510
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
CID 63871118
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
N-(2-piperidin-4-yloxyethyl)furan-2-carboxamide
CID 55251726

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide (CID 106855106) is 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide is O=C(NCCCOC1CCNCC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide?
The InChIKey is NJWWSQUYQHZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c14-12-11(4-9-19-12)13(17)16-5-1-8-18-10-2-6-15-7-3-10/h4,9-10,15H,1-3,5-8H2,(H,16,17).
What are the key properties of 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide?
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide is sourced from PubChem (CID 106855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).