[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

C15H16BrN3O3 — CID 110814815

IUPAC[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C15H16BrN3O3/c1-17-5-4-11(10-17)14(20)18-6-8-19(9-7-18)15(21)12-2-3-13(16)22-12/h2-5,10H,6-9H2,1H3
InChIKeyWMYGSSUXOZZLCO-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.98
Rot. Bonds2

About [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 110814815) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID110814815
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C15H16BrN3O3/c1-17-5-4-11(10-17)14(20)18-6-8-19(9-7-18)15(21)12-2-3-13(16)22-12/h2-5,10H,6-9H2,1H3
InChIKeyWMYGSSUXOZZLCO-UHFFFAOYSA-N
XLogP1.98
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
(5-bromofuran-2-yl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545693
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide
CID 110812215
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 110814815) is [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1.
What is the InChIKey of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is WMYGSSUXOZZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-17-5-4-11(10-17)14(20)18-6-8-19(9-7-18)15(21)12-2-3-13(16)22-12/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 366.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 110814815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).