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

C15H26N2O2 — CID 53299342

IUPAC(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-11(2)13-9-16-14(18)15(19)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyIOJPGSLTJHNFNX-GLGOKHISSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds4

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

(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione (PubChem CID 53299342) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione
PubChem CID53299342
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione
SMILESCCC(C)[C@H]1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-11(2)13-9-16-14(18)15(19)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyIOJPGSLTJHNFNX-GLGOKHISSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
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-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The IUPAC name of (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione (CID 53299342) is (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The canonical SMILES for (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione is CCC(C)[C@H]1CNC(=O)C(=O)N1CC1CCCCC1.
What is the InChIKey of (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione?
The InChIKey is IOJPGSLTJHNFNX-GLGOKHISSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)13-9-16-14(18)15(19)17(13)10-12-7-5-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1.
What are the key properties of (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione?
(6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-butan-2-yl-1-(cyclohexylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 53299342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).