3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

C14H22N4O2 — CID 64903177

IUPAC3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCn1cccn1
InChIInChI=1S/C14H22N4O2/c1-3-6-12-13(19)16-11(4-2)14(20)18(12)10-9-17-8-5-7-15-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,19)
InChIKeyVGLDPAPOSBKWQB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.79
Rot. Bonds6

About 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64903177) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64903177
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCn1cccn1
InChIInChI=1S/C14H22N4O2/c1-3-6-12-13(19)16-11(4-2)14(20)18(12)10-9-17-8-5-7-15-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,19)
InChIKeyVGLDPAPOSBKWQB-UHFFFAOYSA-N
XLogP0.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-6-propylpiperazine-2,5-dione
CID 104812728
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64873297
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64903177) is 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1CCn1cccn1.
What is the InChIKey of 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is VGLDPAPOSBKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-6-12-13(19)16-11(4-2)14(20)18(12)10-9-17-8-5-7-15-17/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64903177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).