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

C19H29N3O2 — CID 110132278

IUPAC2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-15-18(21-10-9-20-15)8-7-17-14-24-12-11-22(17)19(23)13-16-5-3-2-4-6-16/h9-10,16-17H,2-8,11-14H2,1H3
InChIKeyXTIYWJRIWRQHFD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.92
Rot. Bonds5

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

2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 110132278) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID110132278
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-15-18(21-10-9-20-15)8-7-17-14-24-12-11-22(17)19(23)13-16-5-3-2-4-6-16/h9-10,16-17H,2-8,11-14H2,1H3
InChIKeyXTIYWJRIWRQHFD-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (CID 110132278) is 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is Cc1nccnc1CCC1COCCN1C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is XTIYWJRIWRQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-18(21-10-9-20-15)8-7-17-14-24-12-11-22(17)19(23)13-16-5-3-2-4-6-16/h9-10,16-17H,2-8,11-14H2,1H3.
What are the key properties of 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 110132278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).