1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone

C18H27N3O3 — CID 110132267

IUPAC1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14-17(20-7-6-19-14)3-2-16-13-24-11-8-21(16)18(22)12-15-4-9-23-10-5-15/h6-7,15-16H,2-5,8-13H2,1H3
InChIKeyCFKZRZPFDWIQNB-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.76
Rot. Bonds5

About 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone

1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone (PubChem CID 110132267) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone
PubChem CID110132267
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14-17(20-7-6-19-14)3-2-16-13-24-11-8-21(16)18(22)12-15-4-9-23-10-5-15/h6-7,15-16H,2-5,8-13H2,1H3
InChIKeyCFKZRZPFDWIQNB-UHFFFAOYSA-N
XLogP1.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone (CID 110132267) is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone is Cc1nccnc1CCC1COCCN1C(=O)CC1CCOCC1.
What is the InChIKey of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is CFKZRZPFDWIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-17(20-7-6-19-14)3-2-16-13-24-11-8-21(16)18(22)12-15-4-9-23-10-5-15/h6-7,15-16H,2-5,8-13H2,1H3.
What are the key properties of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone?
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 110132267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).