(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione

C16H20N2O3 — CID 16745889

IUPAC(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CC1(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O3/c1-11(19)13-9-17-14(20)15(21)18(13)10-16(7-8-16)12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3,(H,17,20)/t11?,13-/m1/s1
InChIKeyAIKKVGVGBNTEEF-GLGOKHISSA-N
MW288.35 g/mol
LogP0.43
Rot. Bonds4

About (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione

(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione (PubChem CID 16745889) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione
PubChem CID16745889
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione
SMILESCC(O)[C@H]1CNC(=O)C(=O)N1CC1(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O3/c1-11(19)13-9-17-14(20)15(21)18(13)10-16(7-8-16)12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3,(H,17,20)/t11?,13-/m1/s1
InChIKeyAIKKVGVGBNTEEF-GLGOKHISSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione?
The IUPAC name of (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione (CID 16745889) is (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione?
The canonical SMILES for (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione is CC(O)[C@H]1CNC(=O)C(=O)N1CC1(c2ccccc2)CC1.
What is the InChIKey of (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione?
The InChIKey is AIKKVGVGBNTEEF-GLGOKHISSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(19)13-9-17-14(20)15(21)18(13)10-16(7-8-16)12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3,(H,17,20)/t11?,13-/m1/s1.
What are the key properties of (6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione?
(6R)-6-(1-hydroxyethyl)-1-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione has a molecular weight of 288.35 g/mol, XLogP of 0.43, 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-[(1-phenylcyclopropyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 16745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).