1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione

C17H24N2O2 — CID 64955154

IUPAC1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)13-16(21)19(17(3,4)5)14(15(20)18-13)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3,(H,18,20)
InChIKeyHTQYZNRFYOMGFT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds2

About 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione

1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64955154) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64955154
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)13-16(21)19(17(3,4)5)14(15(20)18-13)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3,(H,18,20)
InChIKeyHTQYZNRFYOMGFT-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione (CID 64955154) is 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(c2ccccc2)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HTQYZNRFYOMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)13-16(21)19(17(3,4)5)14(15(20)18-13)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3,(H,18,20).
What are the key properties of 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64955154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).