(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C13H15N3OS — CID 135493936

IUPAC(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=N/C1=C\c1cccs1
InChIInChI=1S/C13H15N3OS/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-
InChIKeyUEVWZGLBMOJIRG-LUAWRHEFSA-N
MW261.35 g/mol
LogP2.06
Rot. Bonds1

About (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135493936) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135493936
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=N/C1=C\c1cccs1
InChIInChI=1S/C13H15N3OS/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-
InChIKeyUEVWZGLBMOJIRG-LUAWRHEFSA-N
XLogP2.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.06
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 (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 135493936) is (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(N2CCCCC2)=N/C1=C\c1cccs1.
What is the InChIKey of (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is UEVWZGLBMOJIRG-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-.
What are the key properties of (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 261.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-piperidin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135493936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).