2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid

C20H24N4O3 — CID 154746178

IUPAC2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1CCN(c2ccccn2)CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-20(19(26)27,16-7-3-2-4-8-16)22-18(25)15-23-11-13-24(14-12-23)17-9-5-6-10-21-17/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27)
InChIKeyWGYNBCHVFOKEEU-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.32
Rot. Bonds6

About 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid

2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid (PubChem CID 154746178) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
PubChem CID154746178
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1CCN(c2ccccn2)CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-20(19(26)27,16-7-3-2-4-8-16)22-18(25)15-23-11-13-24(14-12-23)17-9-5-6-10-21-17/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27)
InChIKeyWGYNBCHVFOKEEU-UHFFFAOYSA-N
XLogP1.32
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109380809
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid (CID 154746178) is 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid is CC(NC(=O)CN1CCN(c2ccccn2)CC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is WGYNBCHVFOKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(19(26)27,16-7-3-2-4-8-16)22-18(25)15-23-11-13-24(14-12-23)17-9-5-6-10-21-17/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid?
2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 368.44 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 154746178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).