2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide

C26H30N4O3 — CID 156801462

IUPAC2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(C(Cc3ccccc3)C(N)=O)n2)C1
InChIInChI=1S/C26H30N4O3/c1-2-32-23-12-6-7-13-24(23)33-20-11-8-14-30(18-20)25-17-28-16-22(29-25)21(26(27)31)15-19-9-4-3-5-10-19/h3-7,9-10,12-13,16-17,20-21H,2,8,11,14-15,18H2,1H3,(H2,27,31)
InChIKeySZYBCNYQDRTGLU-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.73
Rot. Bonds9

About 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide

2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 156801462) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide
PubChem CID156801462
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(C(Cc3ccccc3)C(N)=O)n2)C1
InChIInChI=1S/C26H30N4O3/c1-2-32-23-12-6-7-13-24(23)33-20-11-8-14-30(18-20)25-17-28-16-22(29-25)21(26(27)31)15-19-9-4-3-5-10-19/h3-7,9-10,12-13,16-17,20-21H,2,8,11,14-15,18H2,1H3,(H2,27,31)
InChIKeySZYBCNYQDRTGLU-UHFFFAOYSA-N
XLogP3.73
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide (CID 156801462) is 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide is CCOc1ccccc1OC1CCCN(c2cncc(C(Cc3ccccc3)C(N)=O)n2)C1.
What is the InChIKey of 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide?
The InChIKey is SZYBCNYQDRTGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-32-23-12-6-7-13-24(23)33-20-11-8-14-30(18-20)25-17-28-16-22(29-25)21(26(27)31)15-19-9-4-3-5-10-19/h3-7,9-10,12-13,16-17,20-21H,2,8,11,14-15,18H2,1H3,(H2,27,31).
What are the key properties of 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide?
2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide has a molecular weight of 446.55 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 156801462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).