3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione

C16H16N2O2 — CID 64956433

IUPAC3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H16N2O2/c1-10-16(20)18(11(2)15(19)17-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,19)
InChIKeyBMANHLPBBRHRCE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.08
Rot. Bonds1

About 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione

3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione (PubChem CID 64956433) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
PubChem CID64956433
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H16N2O2/c1-10-16(20)18(11(2)15(19)17-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,19)
InChIKeyBMANHLPBBRHRCE-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione (CID 64956433) is 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione is CC1NC(=O)C(C)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione?
The InChIKey is BMANHLPBBRHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-16(20)18(11(2)15(19)17-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,19).
What are the key properties of 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione?
3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione has a molecular weight of 268.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione is sourced from PubChem (CID 64956433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).