4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one

C15H26N2O2 — CID 65022862

IUPAC4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O2/c1-15(2)14(19)16-10-11-17(15)13(18)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19)
InChIKeyDAXKQWBQHSIQSY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds1

About 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one

4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 65022862) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID65022862
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O2/c1-15(2)14(19)16-10-11-17(15)13(18)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19)
InChIKeyDAXKQWBQHSIQSY-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one (CID 65022862) is 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1CCCCCCC1.
What is the InChIKey of 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is DAXKQWBQHSIQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2)14(19)16-10-11-17(15)13(18)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one?
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 65022862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).