2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one

C15H13NOS2 — CID 174967109

IUPAC2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one
SMILESO=C1CCNC(=Cc2cccs2)C1=Cc1cccs1
InChIInChI=1S/C15H13NOS2/c17-15-5-6-16-14(10-12-4-2-8-19-12)13(15)9-11-3-1-7-18-11/h1-4,7-10,16H,5-6H2
InChIKeyMBYZSYXFQBPLAN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.80
Rot. Bonds2

About 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one

2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one (PubChem CID 174967109) has the molecular formula C15H13NOS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one.

Molecular Properties

Compound Name2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one
PubChem CID174967109
Molecular FormulaC15H13NOS2
Molecular Weight287.41 g/mol
Exact Mass287.04
IUPAC Name2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one
SMILESO=C1CCNC(=Cc2cccs2)C1=Cc1cccs1
InChIInChI=1S/C15H13NOS2/c17-15-5-6-16-14(10-12-4-2-8-19-12)13(15)9-11-3-1-7-18-11/h1-4,7-10,16H,5-6H2
InChIKeyMBYZSYXFQBPLAN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one?
The IUPAC name of 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one (CID 174967109) is 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one.
What is the SMILES notation for 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one?
The canonical SMILES for 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one is O=C1CCNC(=Cc2cccs2)C1=Cc1cccs1.
What is the InChIKey of 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one?
The InChIKey is MBYZSYXFQBPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS2/c17-15-5-6-16-14(10-12-4-2-8-19-12)13(15)9-11-3-1-7-18-11/h1-4,7-10,16H,5-6H2.
What are the key properties of 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one?
2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(thiophen-2-ylmethylidene)piperidin-4-one is sourced from PubChem (CID 174967109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).