3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione

C16H26N2O2 — CID 64887557

IUPAC3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(12-6-4-3-5-7-12)16(20)18(13)10-11-8-9-11/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyLZMWCIVXOJMYBM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds4

About 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione

3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione (PubChem CID 64887557) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
PubChem CID64887557
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(12-6-4-3-5-7-12)16(20)18(13)10-11-8-9-11/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyLZMWCIVXOJMYBM-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione (CID 64887557) is 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NC(C2CCCCC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is LZMWCIVXOJMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(12-6-4-3-5-7-12)16(20)18(13)10-11-8-9-11/h11-14H,2-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione?
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).