1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one

C16H24N2O2 — CID 86585293

IUPAC1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CNCCN1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O2/c19-14(10-18-2-1-17-9-15(18)20)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,17H,1-10H2
InChIKeyDODCVMITIPWLQR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.20
Rot. Bonds3

About 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one

1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one (PubChem CID 86585293) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one
PubChem CID86585293
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CNCCN1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O2/c19-14(10-18-2-1-17-9-15(18)20)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,17H,1-10H2
InChIKeyDODCVMITIPWLQR-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one (CID 86585293) is 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one is O=C1CNCCN1CC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is DODCVMITIPWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-14(10-18-2-1-17-9-15(18)20)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,17H,1-10H2.
What are the key properties of 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one?
1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 86585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).