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

C15H27N3O2 — CID 45281028

IUPAC1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC(C)CCN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-18-10-6-16-14(19)15(18)20/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeySBSROJOSSQVVHJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds5

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

1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 45281028) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID45281028
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCC(C)CCN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-18-10-6-16-14(19)15(18)20/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeySBSROJOSSQVVHJ-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
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-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 45281028) is 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione is CC(C)CCN1CCC(CN2CCNC(=O)C2=O)CC1.
What is the InChIKey of 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is SBSROJOSSQVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-18-10-6-16-14(19)15(18)20/h12-13H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 281.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 45281028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).