1-adamantyl(piperazin-1-yl)methanone

C15H24N2O — CID 17233943

IUPAC1-adamantyl(piperazin-1-yl)methanone
SMILESO=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2
InChIKeyXAFSAELWLMDLKL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.63
Rot. Bonds1

About 1-adamantyl(piperazin-1-yl)methanone

1-adamantyl(piperazin-1-yl)methanone (PubChem CID 17233943) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-adamantyl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(piperazin-1-yl)methanone
PubChem CID17233943
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-adamantyl(piperazin-1-yl)methanone
SMILESO=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2
InChIKeyXAFSAELWLMDLKL-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(piperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl(piperazin-1-yl)methanone (CID 17233943) is 1-adamantyl(piperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(piperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl(piperazin-1-yl)methanone is O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(piperazin-1-yl)methanone?
The InChIKey is XAFSAELWLMDLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2.
What are the key properties of 1-adamantyl(piperazin-1-yl)methanone?
1-adamantyl(piperazin-1-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(piperazin-1-yl)methanone is sourced from PubChem (CID 17233943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).