4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide

C13H20BrN3O — CID 83017011

IUPAC4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NN1CCCCC1
InChIInChI=1S/C13H20BrN3O/c1-2-6-16-10-11(14)9-12(16)13(18)15-17-7-4-3-5-8-17/h9-10H,2-8H2,1H3,(H,15,18)
InChIKeyUIYFDDONOCYLJY-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide

4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide (PubChem CID 83017011) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
PubChem CID83017011
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NN1CCCCC1
InChIInChI=1S/C13H20BrN3O/c1-2-6-16-10-11(14)9-12(16)13(18)15-17-7-4-3-5-8-17/h9-10H,2-8H2,1H3,(H,15,18)
InChIKeyUIYFDDONOCYLJY-UHFFFAOYSA-N
XLogP2.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
CID 107857541
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-(4-methylpent-1-yn-3-yl)-1-propylpyrrole-2-carboxamide
CID 114202530
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
CID 115279131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide (CID 83017011) is 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NN1CCCCC1.
What is the InChIKey of 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide?
The InChIKey is UIYFDDONOCYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-2-6-16-10-11(14)9-12(16)13(18)15-17-7-4-3-5-8-17/h9-10H,2-8H2,1H3,(H,15,18).
What are the key properties of 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide?
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 83017011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).