1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C16H28N2O2 — CID 64960299

IUPAC1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-4-13-15(19)17-14(11(2)3)16(20)18(13)12-9-7-5-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyBBJWSIDQNOJOML-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

About 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64960299) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64960299
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-4-13-15(19)17-14(11(2)3)16(20)18(13)12-9-7-5-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyBBJWSIDQNOJOML-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964568
6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82924934
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82936794
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64960299) is 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BBJWSIDQNOJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13-15(19)17-14(11(2)3)16(20)18(13)12-9-7-5-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64960299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).