N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

C25H28N4O3S — CID 66885463

IUPACN-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1
InChIInChI=1S/C25H28N4O3S/c1-18-16-29(25(30)28-23-14-27-24(31-2)15-26-23)9-6-21(18)12-20-4-3-5-22(13-20)32-10-7-19-8-11-33-17-19/h3-5,8,11-15,17-18H,6-7,9-10,16H2,1-2H3,(H,26,28,30)
InChIKeyFPGSUZZBTSXOFN-UHFFFAOYSA-N
MW464.59 g/mol
LogP5.13
Rot. Bonds7

About N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885463) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66885463
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1
InChIInChI=1S/C25H28N4O3S/c1-18-16-29(25(30)28-23-14-27-24(31-2)15-26-23)9-6-21(18)12-20-4-3-5-22(13-20)32-10-7-19-8-11-33-17-19/h3-5,8,11-15,17-18H,6-7,9-10,16H2,1-2H3,(H,26,28,30)
InChIKeyFPGSUZZBTSXOFN-UHFFFAOYSA-N
XLogP5.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-pyrazin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510427
2-[[4-(2-Phenylethynyl)thiophen-2-yl]methoxy]-6-piperazin-1-ylpyrazine
CID 68574460
(4E)-N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(4,4,4-trifluorobutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884328
N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(4,4,4-trifluorobutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884329
N-(5-methoxypyrazin-2-yl)-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884974
4-[[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66885634
(4E)-4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66885803
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66885804
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886014
4-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886352
N-(5-methoxypyrazin-2-yl)-4-[[3-(4,4,4-trifluorobutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66898117
N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(1,3,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66898249

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66885463) is N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1.
What is the InChIKey of N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is FPGSUZZBTSXOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-16-29(25(30)28-23-14-27-24(31-2)15-26-23)9-6-21(18)12-20-4-3-5-22(13-20)32-10-7-19-8-11-33-17-19/h3-5,8,11-15,17-18H,6-7,9-10,16H2,1-2H3,(H,26,28,30).
What are the key properties of N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrazin-2-yl)-3-methyl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).