(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C17H19BrN2O3S — CID 10764092

IUPAC(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc(Br)c2OC)CC1
InChIInChI=1S/C17H19BrN2O3S/c1-22-14-6-4-3-5-13(14)19-7-9-20(10-8-19)17(21)12-11-24-16(18)15(12)23-2/h3-6,11H,7-10H2,1-2H3
InChIKeyNYDVBZMGHLAKPD-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.49
Rot. Bonds4

About (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 10764092) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID10764092
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc(Br)c2OC)CC1
InChIInChI=1S/C17H19BrN2O3S/c1-22-14-6-4-3-5-13(14)19-7-9-20(10-8-19)17(21)12-11-24-16(18)15(12)23-2/h3-6,11H,7-10H2,1-2H3
InChIKeyNYDVBZMGHLAKPD-UHFFFAOYSA-N
XLogP3.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
4-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26534473
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2557287
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 10764092) is (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2csc(Br)c2OC)CC1.
What is the InChIKey of (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NYDVBZMGHLAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-22-14-6-4-3-5-13(14)19-7-9-20(10-8-19)17(21)12-11-24-16(18)15(12)23-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 411.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).