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

C16H23N3O2 — CID 110132288

IUPACcyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
SMILESCc1nccnc1CCC1COCCN1C(=O)C1CCC1
InChIInChI=1S/C16H23N3O2/c1-12-15(18-8-7-17-12)6-5-14-11-21-10-9-19(14)16(20)13-3-2-4-13/h7-8,13-14H,2-6,9-11H2,1H3
InChIKeyLCJHRZTUCYGJGR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.75
Rot. Bonds4

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

cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 110132288) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
PubChem CID110132288
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namecyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
SMILESCc1nccnc1CCC1COCCN1C(=O)C1CCC1
InChIInChI=1S/C16H23N3O2/c1-12-15(18-8-7-17-12)6-5-14-11-21-10-9-19(14)16(20)13-3-2-4-13/h7-8,13-14H,2-6,9-11H2,1H3
InChIKeyLCJHRZTUCYGJGR-UHFFFAOYSA-N
XLogP1.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone (CID 110132288) is cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone is Cc1nccnc1CCC1COCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is LCJHRZTUCYGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-15(18-8-7-17-12)6-5-14-11-21-10-9-19(14)16(20)13-3-2-4-13/h7-8,13-14H,2-6,9-11H2,1H3.
What are the key properties of cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 110132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).