2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

C21H32N4O — CID 25284958

IUPAC2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCn1ccnc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H32N4O/c1-2-23-4-3-22-20(23)25-7-5-24(6-8-25)19(26)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-4,16-18H,2,5-15H2,1H3
InChIKeyYZNJXMBNUYCVFY-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 25284958) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID25284958
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCn1ccnc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H32N4O/c1-2-23-4-3-22-20(23)25-7-5-24(6-8-25)19(26)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-4,16-18H,2,5-15H2,1H3
InChIKeyYZNJXMBNUYCVFY-UHFFFAOYSA-N
XLogP3.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (CID 25284958) is 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is CCn1ccnc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is YZNJXMBNUYCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-2-23-4-3-22-20(23)25-7-5-24(6-8-25)19(26)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-4,16-18H,2,5-15H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25284958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).