(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione

C15H14N2O2 — CID 51893578

IUPAC(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
SMILESCN1CC(=O)N[C@H](c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O2/c1-17-9-13(18)16-14(15(17)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeySAPXQAWBFJBNDZ-CQSZACIVSA-N
MW254.29 g/mol
LogP1.47
Rot. Bonds1

About (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione

(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione (PubChem CID 51893578) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
PubChem CID51893578
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
SMILESCN1CC(=O)N[C@H](c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O2/c1-17-9-13(18)16-14(15(17)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeySAPXQAWBFJBNDZ-CQSZACIVSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione (CID 51893578) is (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione is CN1CC(=O)N[C@H](c2cccc3ccccc23)C1=O.
What is the InChIKey of (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione?
The InChIKey is SAPXQAWBFJBNDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17-9-13(18)16-14(15(17)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione?
(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione has a molecular weight of 254.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione is sourced from PubChem (CID 51893578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).