1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione

C16H22N2O3 — CID 104766436

IUPAC1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione
SMILESCOC(C)(C)CN1C(=O)C(c2ccccc2)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-11-14(19)17-13(12-8-6-5-7-9-12)15(20)18(11)10-16(2,3)21-4/h5-9,11,13H,10H2,1-4H3,(H,17,19)
InChIKeyGNFUAUIDXPGKSE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione

1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione (PubChem CID 104766436) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione
PubChem CID104766436
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione
SMILESCOC(C)(C)CN1C(=O)C(c2ccccc2)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-11-14(19)17-13(12-8-6-5-7-9-12)15(20)18(11)10-16(2,3)21-4/h5-9,11,13H,10H2,1-4H3,(H,17,19)
InChIKeyGNFUAUIDXPGKSE-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-2-methylpropyl)-5-phenyl-2-propylimidazolidin-4-one
CID 104767743
6-methyl-3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963667
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 81177581
6-cyclopropyl-1-ethyl-3-phenylpiperazine-2,5-dione
CID 64885933
1-(1-ethoxypropan-2-yl)-6-methyl-3-phenylpiperazine-2,5-dione
CID 64967412
1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64887460
1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
CID 116790839
1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
CID 64886696
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983383

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione (CID 104766436) is 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione is COC(C)(C)CN1C(=O)C(c2ccccc2)NC(=O)C1C.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione?
The InChIKey is GNFUAUIDXPGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-14(19)17-13(12-8-6-5-7-9-12)15(20)18(11)10-16(2,3)21-4/h5-9,11,13H,10H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione?
1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 104766436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).