3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione

C16H20N2O2 — CID 64900807

IUPAC3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(Cc2ccccc2)NC(=O)C1C1CC1
InChIInChI=1S/C16H20N2O2/c1-2-18-14(12-8-9-12)15(19)17-13(16(18)20)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3,(H,17,19)
InChIKeyIIJAUVCMTHQGMX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.35
Rot. Bonds4

About 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione

3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione (PubChem CID 64900807) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
PubChem CID64900807
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(Cc2ccccc2)NC(=O)C1C1CC1
InChIInChI=1S/C16H20N2O2/c1-2-18-14(12-8-9-12)15(19)17-13(16(18)20)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3,(H,17,19)
InChIKeyIIJAUVCMTHQGMX-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
CID 64901185
6-cyclopropyl-1-ethyl-3-phenylpiperazine-2,5-dione
CID 64885933
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
5-benzyl-3-(2-cyclopropylethyl)-2-propylimidazolidin-4-one
CID 83268843
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one
CID 83267659
5-benzyl-3-(cyclopropylmethyl)-2-propylimidazolidin-4-one
CID 83251332
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione (CID 64900807) is 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione is CCN1C(=O)C(Cc2ccccc2)NC(=O)C1C1CC1.
What is the InChIKey of 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione?
The InChIKey is IIJAUVCMTHQGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-14(12-8-9-12)15(19)17-13(16(18)20)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3,(H,17,19).
What are the key properties of 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione?
3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).