(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione

C20H27N3O4 — CID 165420025

IUPAC(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C(=O)[C@@H]2Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O4/c1-14-10-22(11-15(2)27-14)18(24)13-23-17(9-16-7-5-4-6-8-16)20(26)21(3)12-19(23)25/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+,17-/m0/s1
InChIKeyOOWDLRUULAHQBB-UXLLHSPISA-N
MW373.45 g/mol
LogP0.53
Rot. Bonds4

About (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione

(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione (PubChem CID 165420025) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
PubChem CID165420025
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C(=O)[C@@H]2Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O4/c1-14-10-22(11-15(2)27-14)18(24)13-23-17(9-16-7-5-4-6-8-16)20(26)21(3)12-19(23)25/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+,17-/m0/s1
InChIKeyOOWDLRUULAHQBB-UXLLHSPISA-N
XLogP0.53
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
2-benzylsulfonyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1094085
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
2-benzylsulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889316
2-benzylsulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889317
(3S)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165419609
(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
CID 164690480
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
CID 165419607
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110644164

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione (CID 165420025) is (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione is C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C(=O)[C@@H]2Cc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione?
The InChIKey is OOWDLRUULAHQBB-UXLLHSPISA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14-10-22(11-15(2)27-14)18(24)13-23-17(9-16-7-5-4-6-8-16)20(26)21(3)12-19(23)25/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+,17-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione?
(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione has a molecular weight of 373.45 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 165420025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).