2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone

C18H30N2O — CID 25236186

IUPAC2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c1-2-19-3-5-20(6-4-19)17(21)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,2-13H2,1H3
InChIKeyMPSXHUCWQVICKL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.76
Rot. Bonds3

About 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 25236186) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID25236186
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c1-2-19-3-5-20(6-4-19)17(21)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,2-13H2,1H3
InChIKeyMPSXHUCWQVICKL-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 25236186) is 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is MPSXHUCWQVICKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-19-3-5-20(6-4-19)17(21)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,2-13H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 290.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 25236186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).