[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone

C17H25N3O3 — CID 110132322

IUPAC[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCc1nccnc1CCC1COCCN1C(=O)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-16(19-7-6-18-13)3-2-15-12-23-11-8-20(15)17(21)14-4-9-22-10-5-14/h6-7,14-15H,2-5,8-12H2,1H3
InChIKeyIZZVWHVIKDRHJM-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.37
Rot. Bonds4

About [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone

[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 110132322) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID110132322
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCc1nccnc1CCC1COCCN1C(=O)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-16(19-7-6-18-13)3-2-15-12-23-11-8-20(15)17(21)14-4-9-22-10-5-14/h6-7,14-15H,2-5,8-12H2,1H3
InChIKeyIZZVWHVIKDRHJM-UHFFFAOYSA-N
XLogP1.37
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone (CID 110132322) is [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone is Cc1nccnc1CCC1COCCN1C(=O)C1CCOCC1.
What is the InChIKey of [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is IZZVWHVIKDRHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-16(19-7-6-18-13)3-2-15-12-23-11-8-20(15)17(21)14-4-9-22-10-5-14/h6-7,14-15H,2-5,8-12H2,1H3.
What are the key properties of [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone?
[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110132322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).