1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide

C18H22BrN3O — CID 119389561

IUPAC1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNCC2)c(C)n1-c1cccc(Br)c1
InChIInChI=1S/C18H22BrN3O/c1-12-10-17(18(23)21-15-6-8-20-9-7-15)13(2)22(12)16-5-3-4-14(19)11-16/h3-5,10-11,15,20H,6-9H2,1-2H3,(H,21,23)
InChIKeyIGALOBIVIKIRBQ-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.34
Rot. Bonds3

About 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide

1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide (PubChem CID 119389561) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
PubChem CID119389561
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNCC2)c(C)n1-c1cccc(Br)c1
InChIInChI=1S/C18H22BrN3O/c1-12-10-17(18(23)21-15-6-8-20-9-7-15)13(2)22(12)16-5-3-4-14(19)11-16/h3-5,10-11,15,20H,6-9H2,1-2H3,(H,21,23)
InChIKeyIGALOBIVIKIRBQ-UHFFFAOYSA-N
XLogP3.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453392
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
1-(3-bromophenyl)-2,5-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52710868
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403147
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120946815
[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119417851
[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563231
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913
1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone
CID 2125349
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide (CID 119389561) is 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCNCC2)c(C)n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide?
The InChIKey is IGALOBIVIKIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-12-10-17(18(23)21-15-6-8-20-9-7-15)13(2)22(12)16-5-3-4-14(19)11-16/h3-5,10-11,15,20H,6-9H2,1-2H3,(H,21,23).
What are the key properties of 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide?
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119389561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).