methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate

C15H18N2O4 — CID 146250811

IUPACmethyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-10-14(19)16-12(8-13(18)21-2)15(20)17(10)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,19)/t10-,12-/m1/s1
InChIKeyFZHSPPFSXLSXKK-ZYHUDNBSSA-N
MW290.32 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate

methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate (PubChem CID 146250811) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
PubChem CID146250811
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-10-14(19)16-12(8-13(18)21-2)15(20)17(10)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,19)/t10-,12-/m1/s1
InChIKeyFZHSPPFSXLSXKK-ZYHUDNBSSA-N
XLogP0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate with MolForge

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Related Compounds

(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 2784616
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
methyl 1-benzyl-5-(2-hydroxyphenyl)-3-(2-methoxy-2-oxoethyl)-2-oxo-3H-pyrrole-4-carboxylate
CID 102302787
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate (CID 146250811) is methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate is COC(=O)C[C@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)C1=O.
What is the InChIKey of methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate?
The InChIKey is FZHSPPFSXLSXKK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-14(19)16-12(8-13(18)21-2)15(20)17(10)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,19)/t10-,12-/m1/s1.
What are the key properties of methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate?
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate is sourced from PubChem (CID 146250811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).