3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione

C16H26N2O2 — CID 79878905

IUPAC3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1CCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-4-11-14(19)17-13(10-7-8-10)15(20)18(11)12-6-5-9-16(12,2)3/h10-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyRBBVHTKOUUNYBK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds3

About 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione

3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione (PubChem CID 79878905) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione
PubChem CID79878905
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1CCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-4-11-14(19)17-13(10-7-8-10)15(20)18(11)12-6-5-9-16(12,2)3/h10-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyRBBVHTKOUUNYBK-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 79877831
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878827
3-(2,2-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83270665
3-(2,2-dimethylcyclopentyl)-2,5-dimethylimidazolidin-4-one
CID 83270588
4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
CID 107180561
3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210920
5-butan-2-yl-3-(2,2-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 83271073
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
2-cyclopentyl-3-(2,2-dimethylcyclopentyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83269789
5-cyclopropyl-1-(2,2-dimethylcyclopentyl)-2-ethylpiperazine
CID 79878064
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione (CID 79878905) is 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1C1CCCC1(C)C.
What is the InChIKey of 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is RBBVHTKOUUNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-11-14(19)17-13(10-7-8-10)15(20)18(11)12-6-5-9-16(12,2)3/h10-13H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione?
3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79878905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).