6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione

C16H30N2O2 — CID 64873376

IUPAC6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-7-8-12-15(20)18(10-9-11(2)3)13(14(19)17-12)16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyQRUASVYFYXGWLX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds5

About 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione

6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione (PubChem CID 64873376) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
PubChem CID64873376
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-7-8-12-15(20)18(10-9-11(2)3)13(14(19)17-12)16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyQRUASVYFYXGWLX-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
CID 82937313
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione (CID 64873376) is 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)(C)C)N(CCC(C)C)C1=O.
What is the InChIKey of 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione?
The InChIKey is QRUASVYFYXGWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-8-12-15(20)18(10-9-11(2)3)13(14(19)17-12)16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione?
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).