N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide

C15H19N3O3 — CID 165423803

IUPACN-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(CC(=O)Nc2ccccc2)[C@@H](C)C(=O)N1C
InChIInChI=1S/C15H19N3O3/c1-10-15(21)18(11(2)14(20)17(10)3)9-13(19)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyGNQFQFHSNPGENK-QWRGUYRKSA-N
MW289.33 g/mol
LogP0.70
Rot. Bonds3

About N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide

N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide (PubChem CID 165423803) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide
PubChem CID165423803
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(CC(=O)Nc2ccccc2)[C@@H](C)C(=O)N1C
InChIInChI=1S/C15H19N3O3/c1-10-15(21)18(11(2)14(20)17(10)3)9-13(19)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyGNQFQFHSNPGENK-QWRGUYRKSA-N
XLogP0.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56856309
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
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2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
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(2-anilino-2-oxoethyl)sulfanium
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2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
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2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
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2-methoxysulfanyl-N-phenylacetamide
CID 67646949
2-(4-hydroxy-2-oxo-1H-imidazol-3-yl)-N-phenylacetamide
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3-oxo-N-phenylbutanamide
CID 161275903
N'-hydroxy-N-phenylpropanediamide
CID 20721653
2-[(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-phenylacetamide
CID 100848339

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide (CID 165423803) is N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide is C[C@H]1C(=O)N(CC(=O)Nc2ccccc2)[C@@H](C)C(=O)N1C.
What is the InChIKey of N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide?
The InChIKey is GNQFQFHSNPGENK-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-15(21)18(11(2)14(20)17(10)3)9-13(19)16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1.
What are the key properties of N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide?
N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 165423803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).