4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide

C15H24BrN3O — CID 61041943

IUPAC4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C15H24BrN3O/c1-4-7-19-8-5-13(6-9-19)18(3)15(20)14-10-12(16)11-17(14)2/h10-11,13H,4-9H2,1-3H3
InChIKeyVQMNJWAYNGCBHU-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.73
Rot. Bonds4

About 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide

4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide (PubChem CID 61041943) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
PubChem CID61041943
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C15H24BrN3O/c1-4-7-19-8-5-13(6-9-19)18(3)15(20)14-10-12(16)11-17(14)2/h10-11,13H,4-9H2,1-3H3
InChIKeyVQMNJWAYNGCBHU-UHFFFAOYSA-N
XLogP2.73
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119202223
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide (CID 61041943) is 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide is CCCN1CCC(N(C)C(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is VQMNJWAYNGCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-7-19-8-5-13(6-9-19)18(3)15(20)14-10-12(16)11-17(14)2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide?
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61041943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).