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

C18H27N3O2 — CID 110132295

IUPAC2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14-17(20-9-8-19-14)7-6-16-13-23-11-10-21(16)18(22)12-15-4-2-3-5-15/h8-9,15-16H,2-7,10-13H2,1H3
InChIKeyBUUCXEMUTLLUNO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.53
Rot. Bonds5

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

2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 110132295) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID110132295
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14-17(20-9-8-19-14)7-6-16-13-23-11-10-21(16)18(22)12-15-4-2-3-5-15/h8-9,15-16H,2-7,10-13H2,1H3
InChIKeyBUUCXEMUTLLUNO-UHFFFAOYSA-N
XLogP2.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (CID 110132295) is 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is Cc1nccnc1CCC1COCCN1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is BUUCXEMUTLLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-17(20-9-8-19-14)7-6-16-13-23-11-10-21(16)18(22)12-15-4-2-3-5-15/h8-9,15-16H,2-7,10-13H2,1H3.
What are the key properties of 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 110132295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).