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

C14H13BrN2O3S — CID 106852804

IUPAC(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C14H13BrN2O3S/c15-12-10(3-8-20-12)13(18)16-4-6-17(7-5-16)14(19)11-2-1-9-21-11/h1-3,8-9H,4-7H2
InChIKeyQEAQBIAOPGSKCY-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.70
Rot. Bonds2

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

(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 106852804) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID106852804
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C14H13BrN2O3S/c15-12-10(3-8-20-12)13(18)16-4-6-17(7-5-16)14(19)11-2-1-9-21-11/h1-3,8-9H,4-7H2
InChIKeyQEAQBIAOPGSKCY-UHFFFAOYSA-N
XLogP2.70
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 106853503
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 106852804) is (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cccs1)N1CCN(C(=O)c2ccoc2Br)CC1.
What is the InChIKey of (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is QEAQBIAOPGSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-12-10(3-8-20-12)13(18)16-4-6-17(7-5-16)14(19)11-2-1-9-21-11/h1-3,8-9H,4-7H2.
What are the key properties of (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 369.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 106852804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).