(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione

C18H33N3O2 — CID 46902194

IUPAC(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H33N3O2/c1-5-14(4)16-10-19-17(22)18(23)21(16)12-15-6-8-20(9-7-15)11-13(2)3/h13-16H,5-12H2,1-4H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyODQGJFFWMQXOKZ-GOEBONIOSA-N
MW323.48 g/mol
LogP1.73
Rot. Bonds6

About (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione

(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 46902194) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID46902194
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H33N3O2/c1-5-14(4)16-10-19-17(22)18(23)21(16)12-15-6-8-20(9-7-15)11-13(2)3/h13-16H,5-12H2,1-4H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyODQGJFFWMQXOKZ-GOEBONIOSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 46902194) is (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione is CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CC(C)C)CC1.
What is the InChIKey of (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is ODQGJFFWMQXOKZ-GOEBONIOSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-5-14(4)16-10-19-17(22)18(23)21(16)12-15-6-8-20(9-7-15)11-13(2)3/h13-16H,5-12H2,1-4H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 323.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 46902194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).