piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate

C15H16BrNO2S2 — CID 170053151

IUPACpiperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate
SMILESO=C(OC1CCNCC1)C(c1cccs1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S2/c16-13-4-3-12(21-13)14(11-2-1-9-20-11)15(18)19-10-5-7-17-8-6-10/h1-4,9-10,14,17H,5-8H2
InChIKeyCWZYQVUZZSMNGB-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.00
Rot. Bonds4

About piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate

piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate (PubChem CID 170053151) has the molecular formula C15H16BrNO2S2 and a molecular weight of 386.34 g/mol. Its IUPAC name is piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate
PubChem CID170053151
Molecular FormulaC15H16BrNO2S2
Molecular Weight386.34 g/mol
Exact Mass384.98
IUPAC Namepiperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate
SMILESO=C(OC1CCNCC1)C(c1cccs1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S2/c16-13-4-3-12(21-13)14(11-2-1-9-20-11)15(18)19-10-5-7-17-8-6-10/h1-4,9-10,14,17H,5-8H2
InChIKeyCWZYQVUZZSMNGB-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate?
The IUPAC name of piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate (CID 170053151) is piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate.
What is the SMILES notation for piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate?
The canonical SMILES for piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate is O=C(OC1CCNCC1)C(c1cccs1)c1ccc(Br)s1.
What is the InChIKey of piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate?
The InChIKey is CWZYQVUZZSMNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S2/c16-13-4-3-12(21-13)14(11-2-1-9-20-11)15(18)19-10-5-7-17-8-6-10/h1-4,9-10,14,17H,5-8H2.
What are the key properties of piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate?
piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate has a molecular weight of 386.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate is sourced from PubChem (CID 170053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).