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

C16H22N4O3 — CID 71563186

IUPAC2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESC[C@@H](NCC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccccc1
InChIInChI=1S/C16H22N4O3/c1-12(13-5-3-2-4-6-13)18-9-15(22)20-8-7-19(10-14(17)21)16(23)11-20/h2-6,12,18H,7-11H2,1H3,(H2,17,21)/t12-/m1/s1
InChIKeyCPAJAFZJBTWWJY-GFCCVEGCSA-N
MW318.38 g/mol
LogP-0.51
Rot. Bonds6

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

2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 71563186) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID71563186
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESC[C@@H](NCC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccccc1
InChIInChI=1S/C16H22N4O3/c1-12(13-5-3-2-4-6-13)18-9-15(22)20-8-7-19(10-14(17)21)16(23)11-20/h2-6,12,18H,7-11H2,1H3,(H2,17,21)/t12-/m1/s1
InChIKeyCPAJAFZJBTWWJY-GFCCVEGCSA-N
XLogP-0.51
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(3R)-3-benzyl-2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide
CID 71563311
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide (CID 71563186) is 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[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)C1)c1ccccc1.
What is the InChIKey of 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is CPAJAFZJBTWWJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(13-5-3-2-4-6-13)18-9-15(22)20-8-7-19(10-14(17)21)16(23)11-20/h2-6,12,18H,7-11H2,1H3,(H2,17,21)/t12-/m1/s1.
What are the key properties of 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide?
2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-[2-[[(1R)-1-phenylethyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71563186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).