1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione

C14H25N3O2 — CID 20641709

IUPAC1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CCC2CCN(C)CC2)CC1=O
InChIInChI=1S/C14H25N3O2/c1-3-16-10-14(19)17(11-13(16)18)9-6-12-4-7-15(2)8-5-12/h12H,3-11H2,1-2H3
InChIKeySXAGWZQDMLIHRC-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.41
Rot. Bonds4

About 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione

1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 20641709) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
PubChem CID20641709
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CCC2CCN(C)CC2)CC1=O
InChIInChI=1S/C14H25N3O2/c1-3-16-10-14(19)17(11-13(16)18)9-6-12-4-7-15(2)8-5-12/h12H,3-11H2,1-2H3
InChIKeySXAGWZQDMLIHRC-UHFFFAOYSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione (CID 20641709) is 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione is CCN1CC(=O)N(CCC2CCN(C)CC2)CC1=O.
What is the InChIKey of 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is SXAGWZQDMLIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-16-10-14(19)17(11-13(16)18)9-6-12-4-7-15(2)8-5-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 20641709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).