(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid

C25H24N2O3 — CID 71666613

IUPAC(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24(23(19-10-4-1-5-11-19)20-12-6-2-7-13-20)27-17-16-26(18-22(27)25(29)30)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,29,30)/t22-/m0/s1
InChIKeyNLCAOAAHGVRDJG-QFIPXVFZSA-N
MW400.48 g/mol
LogP3.62
Rot. Bonds5

About (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid

(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid (PubChem CID 71666613) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid
PubChem CID71666613
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24(23(19-10-4-1-5-11-19)20-12-6-2-7-13-20)27-17-16-26(18-22(27)25(29)30)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,29,30)/t22-/m0/s1
InChIKeyNLCAOAAHGVRDJG-QFIPXVFZSA-N
XLogP3.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid (CID 71666613) is (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid is O=C(O)[C@@H]1CN(c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid?
The InChIKey is NLCAOAAHGVRDJG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24(23(19-10-4-1-5-11-19)20-12-6-2-7-13-20)27-17-16-26(18-22(27)25(29)30)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,29,30)/t22-/m0/s1.
What are the key properties of (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid?
(2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-diphenylacetyl)-4-phenylpiperazine-2-carboxylic acid is sourced from PubChem (CID 71666613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).