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

C15H28N2O2 — CID 64955313

IUPAC1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)C)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-8-15(9-2)13(19)17(14(5,6)7)11(10(3)4)12(18)16-15/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeySWLWAVNRAPLQMN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds3

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

1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64955313) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64955313
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)C)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-8-15(9-2)13(19)17(14(5,6)7)11(10(3)4)12(18)16-15/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeySWLWAVNRAPLQMN-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967399
3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 114944478

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64955313) is 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C(C)C)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SWLWAVNRAPLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-8-15(9-2)13(19)17(14(5,6)7)11(10(3)4)12(18)16-15/h10-11H,8-9H2,1-7H3,(H,16,18).
What are the key properties of 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64955313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).