[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone

C19H23N3O3 — CID 121497470

IUPAC[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)COc1ccccc1-c1cncc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C19H23N3O3/c1-14(2)13-25-18-6-4-3-5-15(18)16-11-20-12-17(21-16)19(23)22-7-9-24-10-8-22/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyUUQHVHYFEFQNTN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.65
Rot. Bonds5

About [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 121497470) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID121497470
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)COc1ccccc1-c1cncc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C19H23N3O3/c1-14(2)13-25-18-6-4-3-5-15(18)16-11-20-12-17(21-16)19(23)22-7-9-24-10-8-22/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyUUQHVHYFEFQNTN-UHFFFAOYSA-N
XLogP2.65
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 121497470) is [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone is CC(C)COc1ccccc1-c1cncc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UUQHVHYFEFQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(2)13-25-18-6-4-3-5-15(18)16-11-20-12-17(21-16)19(23)22-7-9-24-10-8-22/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 121497470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).