(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione

C16H28N2O2 — CID 53299359

IUPAC(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCC(C)(C)CN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-18-13(10-17-14(19)15(18)20)9-12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyZOWWDGLAXUYWHA-ZDUSSCGKSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

About (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione

(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione (PubChem CID 53299359) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
PubChem CID53299359
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
SMILESCC(C)(C)CN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-18-13(10-17-14(19)15(18)20)9-12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyZOWWDGLAXUYWHA-ZDUSSCGKSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The IUPAC name of (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione (CID 53299359) is (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione is CC(C)(C)CN1C(=O)C(=O)NC[C@@H]1CC1CCCCC1.
What is the InChIKey of (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
The InChIKey is ZOWWDGLAXUYWHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)11-18-13(10-17-14(19)15(18)20)9-12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione?
(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione is sourced from PubChem (CID 53299359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).