3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione

C12H20N2O2 — CID 64886195

IUPAC3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C12H20N2O2/c1-4-14-10(7(2)3)11(15)13-9(12(14)16)8-5-6-8/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyCJBJGIUCWAOEHD-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds3

About 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione

3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64886195) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64886195
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C12H20N2O2/c1-4-14-10(7(2)3)11(15)13-9(12(14)16)8-5-6-8/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyCJBJGIUCWAOEHD-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886005
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
3-cyclopropyl-1-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885064
3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64957667
1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64887460
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
3-cyclopropyl-6-propan-2-yl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971209
6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64885067
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527
1-but-3-yn-2-yl-3-cyclopropyl-6-propan-2-ylpiperazine-2,5-dione
CID 114420582
5-cyclopropyl-3-ethylimidazolidine-2,4-dione
CID 62697868

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64886195) is 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione is CCN1C(=O)C(C2CC2)NC(=O)C1C(C)C.
What is the InChIKey of 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CJBJGIUCWAOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-14-10(7(2)3)11(15)13-9(12(14)16)8-5-6-8/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64886195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).