N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide

C12H15BrN2O2S — CID 78864516

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O2S/c13-10-5-4-9(18-10)7-14-11(16)8-15-6-2-1-3-12(15)17/h4-5H,1-3,6-8H2,(H,14,16)
InChIKeyRWZGOMBHDFEIKI-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.14
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78864516) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78864516
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O2S/c13-10-5-4-9(18-10)7-14-11(16)8-15-6-2-1-3-12(15)17/h4-5H,1-3,6-8H2,(H,14,16)
InChIKeyRWZGOMBHDFEIKI-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78864516) is N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is RWZGOMBHDFEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c13-10-5-4-9(18-10)7-14-11(16)8-15-6-2-1-3-12(15)17/h4-5H,1-3,6-8H2,(H,14,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 331.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78864516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).