2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide

C23H28N4O3 — CID 71563311

IUPAC2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESC[C@@H](NCC(=O)N1CCN(CC(N)=O)C(=O)[C@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17(19-10-6-3-7-11-19)25-15-22(29)27-13-12-26(16-21(24)28)23(30)20(27)14-18-8-4-2-5-9-18/h2-11,17,20,25H,12-16H2,1H3,(H2,24,28)/t17-,20-/m1/s1
InChIKeyXXJSOATZCDADII-YLJYHZDGSA-N
MW408.50 g/mol
LogP1.10
Rot. Bonds8

About 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide

2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 71563311) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID71563311
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESC[C@@H](NCC(=O)N1CCN(CC(N)=O)C(=O)[C@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17(19-10-6-3-7-11-19)25-15-22(29)27-13-12-26(16-21(24)28)23(30)20(27)14-18-8-4-2-5-9-18/h2-11,17,20,25H,12-16H2,1H3,(H2,24,28)/t17-,20-/m1/s1
InChIKeyXXJSOATZCDADII-YLJYHZDGSA-N
XLogP1.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
CID 71563186
ethyl 2-[(3S)-4-[(2R)-2-aminopropanoyl]-3-benzyl-2-oxopiperazin-1-yl]acetate
CID 10760069
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
[2-[3-benzyl-4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-2-oxopiperazin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate
CID 54464068
benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
CID 101170964
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
2-[(2S)-4-(carboxymethyl)-1-[2-[[2-[3-(diaminomethylideneamino)phenyl]acetyl]amino]acetyl]-3-oxopiperazin-2-yl]acetic acid;hydrochloride
CID 70043757

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide (CID 71563311) is 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide is C[C@@H](NCC(=O)N1CCN(CC(N)=O)C(=O)[C@H]1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is XXJSOATZCDADII-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(19-10-6-3-7-11-19)25-15-22(29)27-13-12-26(16-21(24)28)23(30)20(27)14-18-8-4-2-5-9-18/h2-11,17,20,25H,12-16H2,1H3,(H2,24,28)/t17-,20-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71563311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).