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

C16H29N3O2 — CID 45281026

IUPAC1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCCC(CC)CN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-3-13(4-2)11-18-8-5-14(6-9-18)12-19-10-7-17-15(20)16(19)21/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyVEYASCJFFGCZPM-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.09
Rot. Bonds6

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

1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 45281026) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID45281026
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESCCC(CC)CN1CCC(CN2CCNC(=O)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-3-13(4-2)11-18-8-5-14(6-9-18)12-19-10-7-17-15(20)16(19)21/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyVEYASCJFFGCZPM-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.09
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-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 45281026) is 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione is CCC(CC)CN1CCC(CN2CCNC(=O)C2=O)CC1.
What is the InChIKey of 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is VEYASCJFFGCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-13(4-2)11-18-8-5-14(6-9-18)12-19-10-7-17-15(20)16(19)21/h13-14H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 295.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 45281026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).