4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide

C15H24BrN3O — CID 60956390

IUPAC4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCCCCN1CCC(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C15H24BrN3O/c1-3-4-7-19-8-5-13(6-9-19)17-15(20)14-10-12(16)11-18(14)2/h10-11,13H,3-9H2,1-2H3,(H,17,20)
InChIKeyASDWAWQZHOFUND-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.78
Rot. Bonds5

About 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 60956390) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
PubChem CID60956390
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCCCCN1CCC(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C15H24BrN3O/c1-3-4-7-19-8-5-13(6-9-19)17-15(20)14-10-12(16)11-18(14)2/h10-11,13H,3-9H2,1-2H3,(H,17,20)
InChIKeyASDWAWQZHOFUND-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 25235995
N-(1-butylpiperidin-4-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763066

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide (CID 60956390) is 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide is CCCCN1CCC(NC(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is ASDWAWQZHOFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-4-7-19-8-5-13(6-9-19)17-15(20)14-10-12(16)11-18(14)2/h10-11,13H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 2.78, 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-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60956390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).