4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide

C15H24BrN3O — CID 61170021

IUPAC4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CCCN(CC)C1
InChIInChI=1S/C15H24BrN3O/c1-3-7-19-10-12(16)9-14(19)15(20)17-13-6-5-8-18(4-2)11-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,20)
InChIKeyMDSVWHQCLYXDBT-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.87
Rot. Bonds5

About 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 61170021) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
PubChem CID61170021
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CCCN(CC)C1
InChIInChI=1S/C15H24BrN3O/c1-3-7-19-10-12(16)9-14(19)15(20)17-13-6-5-8-18(4-2)11-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,20)
InChIKeyMDSVWHQCLYXDBT-UHFFFAOYSA-N
XLogP2.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide (CID 61170021) is 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NC1CCCN(CC)C1.
What is the InChIKey of 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is MDSVWHQCLYXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-7-19-10-12(16)9-14(19)15(20)17-13-6-5-8-18(4-2)11-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61170021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).