6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

C16H15N3O2 — CID 64880281

IUPAC6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccccn2)C1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-14-10-18-16(21)15(12-6-2-1-3-7-12)19(14)11-13-8-4-5-9-17-13/h1-9,15H,10-11H2,(H,18,21)
InChIKeyXIODPQQAWOSDBV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.28
Rot. Bonds3

About 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64880281) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64880281
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccccn2)C1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-14-10-18-16(21)15(12-6-2-1-3-7-12)19(14)11-13-8-4-5-9-17-13/h1-9,15H,10-11H2,(H,18,21)
InChIKeyXIODPQQAWOSDBV-UHFFFAOYSA-N
XLogP1.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
CID 103465381
1-(2-ethoxyethyl)-6-phenylpiperazine-2,5-dione
CID 64880475
(2R)-4-hydroxy-2,3-diphenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 51982203
(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 51982204
2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
CID 175980206
3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one
CID 10286949
4-hydroxy-2-phenyl-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639985
3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64885072
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
CID 64971483

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 64880281) is 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is O=C1NCC(=O)N(Cc2ccccn2)C1c1ccccc1.
What is the InChIKey of 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is XIODPQQAWOSDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-14-10-18-16(21)15(12-6-2-1-3-7-12)19(14)11-13-8-4-5-9-17-13/h1-9,15H,10-11H2,(H,18,21).
What are the key properties of 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).