2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine

C22H21N3OS — CID 141046477

IUPAC2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine
SMILESC(=C1CNC(=Cc2cccs2)CN1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C22H21N3OS/c1-2-5-17(6-3-1)16-26-21-9-8-18(25-15-21)11-19-13-24-20(14-23-19)12-22-7-4-10-27-22/h1-12,15,23-24H,13-14,16H2
InChIKeyGWASNFCQQPHACD-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.30
Rot. Bonds5

About 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine

2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine (PubChem CID 141046477) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine.

Molecular Properties

Compound Name2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine
PubChem CID141046477
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine
SMILESC(=C1CNC(=Cc2cccs2)CN1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C22H21N3OS/c1-2-5-17(6-3-1)16-26-21-9-8-18(25-15-21)11-19-13-24-20(14-23-19)12-22-7-4-10-27-22/h1-12,15,23-24H,13-14,16H2
InChIKeyGWASNFCQQPHACD-UHFFFAOYSA-N
XLogP4.30
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine?
The IUPAC name of 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine (CID 141046477) is 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine.
What is the SMILES notation for 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine?
The canonical SMILES for 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine is C(=C1CNC(=Cc2cccs2)CN1)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine?
The InChIKey is GWASNFCQQPHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-2-5-17(6-3-1)16-26-21-9-8-18(25-15-21)11-19-13-24-20(14-23-19)12-22-7-4-10-27-22/h1-12,15,23-24H,13-14,16H2.
What are the key properties of 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine?
2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine has a molecular weight of 375.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylmethoxy-2-pyridinyl)methylidene]-5-(thiophen-2-ylmethylidene)piperazine is sourced from PubChem (CID 141046477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).