2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide

C18H29N3O2 — CID 8904226

IUPAC2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29N3O2/c1-13(22)21-4-2-20(3-5-21)12-17(23)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h14-16H,2-12H2,1H3,(H,19,23)
InChIKeyVOLXHFWEDMPJTQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide (PubChem CID 8904226) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide
PubChem CID8904226
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29N3O2/c1-13(22)21-4-2-20(3-5-21)12-17(23)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h14-16H,2-12H2,1H3,(H,19,23)
InChIKeyVOLXHFWEDMPJTQ-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide (CID 8904226) is 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide is CC(=O)N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide?
The InChIKey is VOLXHFWEDMPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(22)21-4-2-20(3-5-21)12-17(23)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h14-16H,2-12H2,1H3,(H,19,23).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)acetamide is sourced from PubChem (CID 8904226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).