1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 103465381

IUPAC1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)11-18-13(19)10-17-15(20)14(18)12-8-6-5-7-9-12/h5-9,14H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyYIEOGLGFFAMNKJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione

1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione (PubChem CID 103465381) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
PubChem CID103465381
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)11-18-13(19)10-17-15(20)14(18)12-8-6-5-7-9-12/h5-9,14H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyYIEOGLGFFAMNKJ-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyethyl)-6-phenylpiperazine-2,5-dione
CID 64880475
1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696629
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
6-phenyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432963
1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
CID 64971483
6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210978
3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
CID 103466780
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
CID 116790844
1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
CID 82737491

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione (CID 103465381) is 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione is CCC(C)(C)CN1C(=O)CNC(=O)C1c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is YIEOGLGFFAMNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(2,3)11-18-13(19)10-17-15(20)14(18)12-8-6-5-7-9-12/h5-9,14H,4,10-11H2,1-3H3,(H,17,20).
What are the key properties of 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione?
1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 103465381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).