3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione

C16H28N2O2 — CID 82934654

IUPAC3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CC(CC)CC
InChIInChI=1S/C16H28N2O2/c1-4-7-13-15(19)17-14(12-8-9-12)16(20)18(13)10-11(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyOYPGBMGTMZRVIU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds7

About 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione

3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione (PubChem CID 82934654) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
PubChem CID82934654
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CC(CC)CC
InChIInChI=1S/C16H28N2O2/c1-4-7-13-15(19)17-14(12-8-9-12)16(20)18(13)10-11(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyOYPGBMGTMZRVIU-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
CID 82934942
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
CID 103016949
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 64885436
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64901911
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione (CID 82934654) is 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C2CC2)C(=O)N1CC(CC)CC.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The InChIKey is OYPGBMGTMZRVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-7-13-15(19)17-14(12-8-9-12)16(20)18(13)10-11(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 82934654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).