3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione

C16H20N2O2 — CID 64968921

IUPAC3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C2CCCc3ccccc32)C1=O
InChIInChI=1S/C16H20N2O2/c1-2-13-16(20)18(10-15(19)17-13)14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,17,19)
InChIKeyONMOJNPFVPQSFD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds2

About 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione

3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione (PubChem CID 64968921) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
PubChem CID64968921
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C2CCCc3ccccc32)C1=O
InChIInChI=1S/C16H20N2O2/c1-2-13-16(20)18(10-15(19)17-13)14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,17,19)
InChIKeyONMOJNPFVPQSFD-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione (CID 64968921) is 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione is CCC1NC(=O)CN(C2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The InChIKey is ONMOJNPFVPQSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-13-16(20)18(10-15(19)17-13)14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,13-14H,2,5,7,9-10H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione is sourced from PubChem (CID 64968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).