(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C15H24BrN3O — CID 63620195

IUPAC(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H24BrN3O/c1-4-6-18-10-12(16)9-14(18)15(20)19-8-7-17(3)13(5-2)11-19/h9-10,13H,4-8,11H2,1-3H3
InChIKeyPWWYJRJSOPCYON-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.83
Rot. Bonds4

About (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63620195) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63620195
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H24BrN3O/c1-4-6-18-10-12(16)9-14(18)15(20)19-8-7-17(3)13(5-2)11-19/h9-10,13H,4-8,11H2,1-3H3
InChIKeyPWWYJRJSOPCYON-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094059
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
(4-bromo-1-ethylpyrrol-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115661665
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641681

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63620195) is (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCCn1cc(Br)cc1C(=O)N1CCN(C)C(CC)C1.
What is the InChIKey of (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is PWWYJRJSOPCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-6-18-10-12(16)9-14(18)15(20)19-8-7-17(3)13(5-2)11-19/h9-10,13H,4-8,11H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 342.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63620195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).