6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione

C15H26N2O3 — CID 104650445

IUPAC6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
SMILESCOCCCCN1C(=O)CNC(=O)C1C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19)
InChIKeyPNIMLVLDLNUOSO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds6

About 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione

6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione (PubChem CID 104650445) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
PubChem CID104650445
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
SMILESCOCCCCN1C(=O)CNC(=O)C1C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19)
InChIKeyPNIMLVLDLNUOSO-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
ethyl 4-{[N-(cyclohexylcarbonyl)leucyl]amino}piperidine-1-carboxylate
CID 3244566
ethyl 4-({N-[(4-methylcyclohexyl)carbonyl]leucyl}amino)piperidine-1-carboxylate
CID 9550536
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
2-Cyclohexylamino-1-piperidin-1-yl-propan-1-one
CID 10376940
2-Amino-2-cyclohexyl-1-piperidin-1-yl-ethanone
CID 44364133
ethyl 4-[N-(cyclohexylcarbonyl)leucyl]piperazine-1-carboxylate
CID 3238124
ethyl 4-{N-[(4-methylcyclohexyl)carbonyl]valyl}piperazine-1-carboxylate
CID 3241156
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione (CID 104650445) is 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione is COCCCCN1C(=O)CNC(=O)C1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The InChIKey is PNIMLVLDLNUOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19).
What are the key properties of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione is sourced from PubChem (CID 104650445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).