1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione

C17H30N2O2 — CID 82924166

IUPAC1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)(CC)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-7-9-12-13)17(5-2,6-3)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyDNFGARHJMPAABJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione

1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione (PubChem CID 82924166) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione
PubChem CID82924166
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)(CC)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-7-9-12-13)17(5-2,6-3)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyDNFGARHJMPAABJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione (CID 82924166) is 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)(CC)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione?
The InChIKey is DNFGARHJMPAABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-7-9-12-13)17(5-2,6-3)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione?
1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,6-diethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 82924166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).