(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

C15H15BrN2OS — CID 1247645

IUPAC(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15BrN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyIEFSLMPHJGQQGK-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.47
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1247645) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1247645
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15BrN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyIEFSLMPHJGQQGK-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1247645) is (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IEFSLMPHJGQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 351.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1247645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).