azane;1-butylpiperazine-2,5-dione

C8H17N3O2 — CID 174744496

IUPACazane;1-butylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)NCC1=O.N
InChIInChI=1S/C8H14N2O2.H3N/c1-2-3-4-10-6-7(11)9-5-8(10)12;/h2-6H2,1H3,(H,9,11);1H3
InChIKeyHIKJLSNGTLCHFZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About azane;1-butylpiperazine-2,5-dione

azane;1-butylpiperazine-2,5-dione (PubChem CID 174744496) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is azane;1-butylpiperazine-2,5-dione.

Molecular Properties

Compound Nameazane;1-butylpiperazine-2,5-dione
PubChem CID174744496
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Nameazane;1-butylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)NCC1=O.N
InChIInChI=1S/C8H14N2O2.H3N/c1-2-3-4-10-6-7(11)9-5-8(10)12;/h2-6H2,1H3,(H,9,11);1H3
InChIKeyHIKJLSNGTLCHFZ-UHFFFAOYSA-N
XLogP-0.09
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
1-((Pyrrolidine-1-carbonyl)methyl)piperazine
CID 100614
1-Ethyl-2,3-piperazinedione
CID 108812
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-isopropyl-1-piperazineacetamide
CID 100826
1-(2-Oxo-2-piperidin-1-ylethyl)piperazine
CID 2760439
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
Alanine anhydride, trans-(A+-)-
CID 676438
N,N'-bis(2-methylpropyl)oxamide
CID 314340
D-Alanine anhydride
CID 676439

Frequently Asked Questions

What is the IUPAC name of azane;1-butylpiperazine-2,5-dione?
The IUPAC name of azane;1-butylpiperazine-2,5-dione (CID 174744496) is azane;1-butylpiperazine-2,5-dione.
What is the SMILES notation for azane;1-butylpiperazine-2,5-dione?
The canonical SMILES for azane;1-butylpiperazine-2,5-dione is CCCCN1CC(=O)NCC1=O.N.
What is the InChIKey of azane;1-butylpiperazine-2,5-dione?
The InChIKey is HIKJLSNGTLCHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.H3N/c1-2-3-4-10-6-7(11)9-5-8(10)12;/h2-6H2,1H3,(H,9,11);1H3.
What are the key properties of azane;1-butylpiperazine-2,5-dione?
azane;1-butylpiperazine-2,5-dione has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-butylpiperazine-2,5-dione is sourced from PubChem (CID 174744496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).