6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64886581

IUPAC6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCC(C)OCCN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-10(2)21-9-8-18-13(16(3,4)5)14(19)17-12(15(18)20)11-6-7-11/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWQNGQMKLROREOT-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.56
Rot. Bonds5

About 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (PubChem CID 64886581) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
PubChem CID64886581
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCC(C)OCCN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-10(2)21-9-8-18-13(16(3,4)5)14(19)17-12(15(18)20)11-6-7-11/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWQNGQMKLROREOT-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione with MolForge

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Related Compounds

1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 107898379
6-tert-butyl-3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886770
6-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylpiperazine-2,5-dione
CID 106440789
3-cyclopropyl-6-ethyl-6-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64887154
6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943709
3-cyclopropyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64887519
6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
CID 64880859
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64887135
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64886195
6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874379

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (CID 64886581) is 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is CC(C)OCCN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The InChIKey is WQNGQMKLROREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10(2)21-9-8-18-13(16(3,4)5)14(19)17-12(15(18)20)11-6-7-11/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).