(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

C15H20N2O4 — CID 95735484

IUPAC(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)[C@H](C)NC(=O)[C@H]2[C@H](C)O)c1
InChIInChI=1S/C15H20N2O4/c1-9-15(20)17(13(10(2)18)14(19)16-9)8-11-5-4-6-12(7-11)21-3/h4-7,9-10,13,18H,8H2,1-3H3,(H,16,19)/t9-,10-,13+/m0/s1
InChIKeyVEUXIIDAYZETLC-OUJBWJOFSA-N
MW292.33 g/mol
LogP0.29
Rot. Bonds4

About (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 95735484) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID95735484
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)[C@H](C)NC(=O)[C@H]2[C@H](C)O)c1
InChIInChI=1S/C15H20N2O4/c1-9-15(20)17(13(10(2)18)14(19)16-9)8-11-5-4-6-12(7-11)21-3/h4-7,9-10,13,18H,8H2,1-3H3,(H,16,19)/t9-,10-,13+/m0/s1
InChIKeyVEUXIIDAYZETLC-OUJBWJOFSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64873895
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 107851340
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64875269
3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
CID 18338856
(5S)-3-acetyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 90883366
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 102390311
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (CID 95735484) is (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is COc1cccc(CN2C(=O)[C@H](C)NC(=O)[C@H]2[C@H](C)O)c1.
What is the InChIKey of (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is VEUXIIDAYZETLC-OUJBWJOFSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-15(20)17(13(10(2)18)14(19)16-9)8-11-5-4-6-12(7-11)21-3/h4-7,9-10,13,18H,8H2,1-3H3,(H,16,19)/t9-,10-,13+/m0/s1.
What are the key properties of (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 292.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 95735484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).