4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one

C10H13BrN2OS — CID 64694976

IUPAC4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccc(Br)s2)CC1=O
InChIInChI=1S/C10H13BrN2OS/c1-12-4-5-13(7-10(12)14)6-8-2-3-9(11)15-8/h2-3H,4-7H2,1H3
InChIKeyZIROZNMGYJPDLG-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.78
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one

4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one (PubChem CID 64694976) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
PubChem CID64694976
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccc(Br)s2)CC1=O
InChIInChI=1S/C10H13BrN2OS/c1-12-4-5-13(7-10(12)14)6-8-2-3-9(11)15-8/h2-3H,4-7H2,1H3
InChIKeyZIROZNMGYJPDLG-UHFFFAOYSA-N
XLogP1.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one (CID 64694976) is 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2ccc(Br)s2)CC1=O.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one?
The InChIKey is ZIROZNMGYJPDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-12-4-5-13(7-10(12)14)6-8-2-3-9(11)15-8/h2-3H,4-7H2,1H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one?
4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one has a molecular weight of 289.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64694976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).