1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

C24H29N3O2 — CID 90559841

IUPAC1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2cnc3ccccc3n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-7-5-19(6-8-27)29-22-15-25-20-3-1-2-4-21(20)26-22/h1-4,15-19H,5-14H2
InChIKeyWNBGEUXOFSZEOC-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.22
Rot. Bonds3

About 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90559841) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
PubChem CID90559841
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2cnc3ccccc3n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-7-5-19(6-8-27)29-22-15-25-20-3-1-2-4-21(20)26-22/h1-4,15-19H,5-14H2
InChIKeyWNBGEUXOFSZEOC-UHFFFAOYSA-N
XLogP4.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (CID 90559841) is 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is O=C(N1CCC(Oc2cnc3ccccc3n2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is WNBGEUXOFSZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-7-5-19(6-8-27)29-22-15-25-20-3-1-2-4-21(20)26-22/h1-4,15-19H,5-14H2.
What are the key properties of 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 391.52 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).