(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione

C18H20N2O3 — CID 16745905

IUPAC(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(21)16-11-19-17(22)18(23)20(16)10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16,21H,9-11H2,1H3,(H,19,22)/t12?,16-/m1/s1
InChIKeyPASRXHJBZXVUGG-PVQCJRHBSA-N
MW312.37 g/mol
LogP1.09
Rot. Bonds4

About (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione

(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione (PubChem CID 16745905) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
PubChem CID16745905
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(21)16-11-19-17(22)18(23)20(16)10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16,21H,9-11H2,1H3,(H,19,22)/t12?,16-/m1/s1
InChIKeyPASRXHJBZXVUGG-PVQCJRHBSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
CID 73319664
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415
1-naphthalen-1-ylpentan-3-ol
CID 2793924
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid
CID 174514046
[(3S,4S)-4-(2-naphthalen-1-ylacetyl)oxypyrrolidin-3-yl] 2-naphthalen-1-ylacetate
CID 54754546
3-(2-naphthalen-1-ylethyl)-1-undecyl-2H-benzo[f]benzimidazole-4,9-dione
CID 123431632

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The IUPAC name of (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione (CID 16745905) is (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione.
What is the SMILES notation for (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The canonical SMILES for (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione is CC(O)[C@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12.
What is the InChIKey of (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The InChIKey is PASRXHJBZXVUGG-PVQCJRHBSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)16-11-19-17(22)18(23)20(16)10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,16,21H,9-11H2,1H3,(H,19,22)/t12?,16-/m1/s1.
What are the key properties of (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione has a molecular weight of 312.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione is sourced from PubChem (CID 16745905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).