1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid

C21H22N2O5 — CID 11773472

IUPAC1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
SMILESO=C(O)C1NCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1C(=O)O
InChIInChI=1S/C21H22N2O5/c24-17(23-12-11-22-18(20(25)26)19(23)21(27)28)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18-19,22H,11-13H2,(H,25,26)(H,27,28)
InChIKeyLIGWVQGQYQRERQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.55
Rot. Bonds6

About 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid

1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid (PubChem CID 11773472) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
PubChem CID11773472
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
SMILESO=C(O)C1NCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1C(=O)O
InChIInChI=1S/C21H22N2O5/c24-17(23-12-11-22-18(20(25)26)19(23)21(27)28)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18-19,22H,11-13H2,(H,25,26)(H,27,28)
InChIKeyLIGWVQGQYQRERQ-UHFFFAOYSA-N
XLogP1.55
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 123226657
1-(2-iodopiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 69269178
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
CID 120571964
2-benzhydrylpiperazine-1,3-dicarboxamide
CID 67012309
1-[4-(4-fluorophenyl)benzoyl]piperazine-2,3-dicarboxylic acid
CID 10384642
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 120573189
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-(3-chlorobenzoyl)piperazine-2,3-dicarboxylic acid;methanesulfonic acid
CID 162306944
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid?
The IUPAC name of 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid (CID 11773472) is 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid.
What is the SMILES notation for 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid?
The canonical SMILES for 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid is O=C(O)C1NCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1C(=O)O.
What is the InChIKey of 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid?
The InChIKey is LIGWVQGQYQRERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-17(23-12-11-22-18(20(25)26)19(23)21(27)28)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18-19,22H,11-13H2,(H,25,26)(H,27,28).
What are the key properties of 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid?
1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid is sourced from PubChem (CID 11773472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).