1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione

C17H26N2O2 — CID 82925459

IUPAC1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(C2CCCCCC2)C1C1CC1
InChIInChI=1S/C17H26N2O2/c20-16-15(12-9-10-12)19(13-5-3-1-2-4-6-13)17(21)14(18-16)11-7-8-11/h11-15H,1-10H2,(H,18,20)
InChIKeyGBURXXKWKHQIQV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds3

About 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione

1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione (PubChem CID 82925459) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
PubChem CID82925459
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(C2CCCCCC2)C1C1CC1
InChIInChI=1S/C17H26N2O2/c20-16-15(12-9-10-12)19(13-5-3-1-2-4-6-13)17(21)14(18-16)11-7-8-11/h11-15H,1-10H2,(H,18,20)
InChIKeyGBURXXKWKHQIQV-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropanecarboxylic acid (8-carbamoylmethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 650271
N-cyclohexyl-2-cyclopropyl-2-(4-ethylpiperazin-1-yl)acetamide
CID 51361430
(3S,6S)-4-(cyclopropanecarbonyl)-3,6-diisobutyl-piperazin-2-one
CID 76325279
2-[1-[2-(Cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 56813393
N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide
CID 96535730
N-cyclopropyl-2-[2-(2-methylpropyl)-3-oxopiperazin-1-yl]acetamide
CID 121515957
3,6-Dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64885640
3,6-Dicyclopropyl-1-(2,2-difluoroethyl)piperazine-2,5-dione
CID 64886389
3,6-Dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886391
3,6-Dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80698056
3,6-Dicyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81110745
3,6-Dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519416

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione (CID 82925459) is 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(C2CCCCCC2)C1C1CC1.
What is the InChIKey of 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione?
The InChIKey is GBURXXKWKHQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-15(12-9-10-12)19(13-5-3-1-2-4-6-13)17(21)14(18-16)11-7-8-11/h11-15H,1-10H2,(H,18,20).
What are the key properties of 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione?
1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 82925459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).