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

C24H26N4O3S — CID 66898499

IUPACN-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)CC2)cn1
InChIInChI=1S/C24H26N4O3S/c1-30-23-16-25-22(15-26-23)27-24(29)28-9-5-18(6-10-28)13-20-3-2-4-21(14-20)31-11-7-19-8-12-32-17-19/h2-4,8,12-17H,5-7,9-11H2,1H3,(H,25,27,29)
InChIKeyMMPJPWUMCQWDKO-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.88
Rot. Bonds7

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

N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66898499) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66898499
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)CC2)cn1
InChIInChI=1S/C24H26N4O3S/c1-30-23-16-25-22(15-26-23)27-24(29)28-9-5-18(6-10-28)13-20-3-2-4-21(14-20)31-11-7-19-8-12-32-17-19/h2-4,8,12-17H,5-7,9-11H2,1H3,(H,25,27,29)
InChIKeyMMPJPWUMCQWDKO-UHFFFAOYSA-N
XLogP4.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66898499) is N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)CC2)cn1.
What is the InChIKey of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is MMPJPWUMCQWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-30-23-16-25-22(15-26-23)27-24(29)28-9-5-18(6-10-28)13-20-3-2-4-21(14-20)31-11-7-19-8-12-32-17-19/h2-4,8,12-17H,5-7,9-11H2,1H3,(H,25,27,29).
What are the key properties of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
N-(5-methoxypyrazin-2-yl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.88, 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)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66898499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).