1-(3,5-dimethyl-1-adamantyl)piperazin-2-one

C16H26N2O — CID 79986447

IUPAC1-(3,5-dimethyl-1-adamantyl)piperazin-2-one
SMILESCC12CC3CC(C)(C1)CC(N1CCNCC1=O)(C3)C2
InChIInChI=1S/C16H26N2O/c1-14-5-12-6-15(2,9-14)11-16(7-12,10-14)18-4-3-17-8-13(18)19/h12,17H,3-11H2,1-2H3
InChIKeyCQMDHSRUWWWOMQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.17
Rot. Bonds1

About 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one

1-(3,5-dimethyl-1-adamantyl)piperazin-2-one (PubChem CID 79986447) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)piperazin-2-one
PubChem CID79986447
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3,5-dimethyl-1-adamantyl)piperazin-2-one
SMILESCC12CC3CC(C)(C1)CC(N1CCNCC1=O)(C3)C2
InChIInChI=1S/C16H26N2O/c1-14-5-12-6-15(2,9-14)11-16(7-12,10-14)18-4-3-17-8-13(18)19/h12,17H,3-11H2,1-2H3
InChIKeyCQMDHSRUWWWOMQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one (CID 79986447) is 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one is CC12CC3CC(C)(C1)CC(N1CCNCC1=O)(C3)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one?
The InChIKey is CQMDHSRUWWWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-12-6-15(2,9-14)11-16(7-12,10-14)18-4-3-17-8-13(18)19/h12,17H,3-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one?
1-(3,5-dimethyl-1-adamantyl)piperazin-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)piperazin-2-one is sourced from PubChem (CID 79986447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).