3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione

C17H24N2O2 — CID 64901606

IUPAC3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-16(2)15(21)19(17(3,4)14(20)18-16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,18,20)
InChIKeySEWXYDVTQZKQHJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds4

About 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione

3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione (PubChem CID 64901606) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
PubChem CID64901606
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-16(2)15(21)19(17(3,4)14(20)18-16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,18,20)
InChIKeySEWXYDVTQZKQHJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880416
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880418
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
hafnium;4-phenylbutylbenzene
CID 175889972
3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901227
2,2-dimethyl-5,5-diphenyl-3-(2-phenylethyl)imidazolidin-4-one
CID 145460405
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione (CID 64901606) is 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C)N(CCCc2ccccc2)C1=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione?
The InChIKey is SEWXYDVTQZKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2)15(21)19(17(3,4)14(20)18-16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,18,20).
What are the key properties of 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64901606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).