2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid

C20H23N3O3 — CID 87799450

IUPAC2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid
SMILESCNC1(CC=O)CN(c2cccc(-c3ccccc3)c2)CCN1C(=O)O
InChIInChI=1S/C20H23N3O3/c1-21-20(10-13-24)15-22(11-12-23(20)19(25)26)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,25,26)
InChIKeyZFDYAAVMBZQOGH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.66
Rot. Bonds5

About 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid

2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid (PubChem CID 87799450) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid
PubChem CID87799450
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid
SMILESCNC1(CC=O)CN(c2cccc(-c3ccccc3)c2)CCN1C(=O)O
InChIInChI=1S/C20H23N3O3/c1-21-20(10-13-24)15-22(11-12-23(20)19(25)26)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,25,26)
InChIKeyZFDYAAVMBZQOGH-UHFFFAOYSA-N
XLogP2.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorophenyl)phenyl]-2-(methylamino)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87799080
2-(methylamino)-2-(2-oxoethyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine-1-carboxylic acid
CID 87798856
2-(methylamino)-2-(2-oxoethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 87799303
4-(5-chloroquinolin-2-yl)-2-(methylamino)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87798698
4-(5-ethylpyrimidin-2-yl)-2-(methylamino)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87799262
2-acetyl-2-(methylamino)-4-[4-(3-propan-2-ylphenyl)phenyl]piperazine-1-carboxylic acid
CID 69366148
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
CID 69367314
2-acetyl-4-(4-chlorophenyl)-2-(methylamino)piperazine-1-carboxylic acid
CID 69366611
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylic acid
CID 67608931
2-acetyl-4-[4-(2,4-dichlorophenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
CID 69366929
but-2-enedioic acid;1-phenyl-4-[(3-phenylphenyl)methyl]piperazine
CID 70248909

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid (CID 87799450) is 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid is CNC1(CC=O)CN(c2cccc(-c3ccccc3)c2)CCN1C(=O)O.
What is the InChIKey of 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The InChIKey is ZFDYAAVMBZQOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21-20(10-13-24)15-22(11-12-23(20)19(25)26)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,13-14,21H,10-12,15H2,1H3,(H,25,26).
What are the key properties of 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid?
2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 87799450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).