1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione

C16H26N2O2 — CID 64968016

IUPAC1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CC2CC=CCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-3-8-13-16(20)18(14(4-2)15(19)17-13)11-12-9-6-5-7-10-12/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,17,19)
InChIKeyCQDDTXVWMMFQDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione

1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione (PubChem CID 64968016) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
PubChem CID64968016
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CC2CC=CCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-3-8-13-16(20)18(14(4-2)15(19)17-13)11-12-9-6-5-7-10-12/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,17,19)
InChIKeyCQDDTXVWMMFQDG-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64968026
6-cyclopropyl-1-(cyclopropylmethyl)-3-propylpiperazine-2,5-dione
CID 64874160
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64970882
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione (CID 64968016) is 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CC2CC=CCC2)C1=O.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The InChIKey is CQDDTXVWMMFQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-13-16(20)18(14(4-2)15(19)17-13)11-12-9-6-5-7-10-12/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione?
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).