(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione

C16H28N2O3 — CID 16745917

IUPAC(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(19)14-11-17-15(20)16(21)18(14)10-6-5-9-13-7-3-2-4-8-13/h12-14,19H,2-11H2,1H3,(H,17,20)/t12?,14-/m1/s1
InChIKeyJUNZTZBKNKMADQ-TYZXPVIJSA-N
MW296.41 g/mol
LogP1.44
Rot. Bonds6

About (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione

(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione (PubChem CID 16745917) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
PubChem CID16745917
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(19)14-11-17-15(20)16(21)18(14)10-6-5-9-13-7-3-2-4-8-13/h12-14,19H,2-11H2,1H3,(H,17,20)/t12?,14-/m1/s1
InChIKeyJUNZTZBKNKMADQ-TYZXPVIJSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The IUPAC name of (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione (CID 16745917) is (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione.
What is the SMILES notation for (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The canonical SMILES for (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione is CC(O)[C@H]1CNC(=O)C(=O)N1CCCCC1CCCCC1.
What is the InChIKey of (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The InChIKey is JUNZTZBKNKMADQ-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(19)14-11-17-15(20)16(21)18(14)10-6-5-9-13-7-3-2-4-8-13/h12-14,19H,2-11H2,1H3,(H,17,20)/t12?,14-/m1/s1.
What are the key properties of (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione has a molecular weight of 296.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione is sourced from PubChem (CID 16745917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).