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

C14H25N3O2 — CID 45281027

IUPAC1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC(C)CN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-16-6-3-12(4-7-16)10-17-8-5-15-13(18)14(17)19/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyXVAMMPQKMYXHTK-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.31
Rot. Bonds4

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

1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 45281027) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID45281027
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC(C)CN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-16-6-3-12(4-7-16)10-17-8-5-15-13(18)14(17)19/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyXVAMMPQKMYXHTK-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.31
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 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 45281027) is 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione is CC(C)CN1CCC(CN2CCNC(=O)C2=O)CC1.
What is the InChIKey of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is XVAMMPQKMYXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)9-16-6-3-12(4-7-16)10-17-8-5-15-13(18)14(17)19/h11-12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 267.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 45281027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).