(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

C18H19N3O3 — CID 54011056

IUPAC(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C18H19N3O3/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,22,23)/t16-/m0/s1
InChIKeyKSJKYIZSDQCVMB-INIZCTEOSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds3

About (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid (PubChem CID 54011056) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
PubChem CID54011056
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C18H19N3O3/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,22,23)/t16-/m0/s1
InChIKeyKSJKYIZSDQCVMB-INIZCTEOSA-N
XLogP2.30
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The IUPAC name of (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid (CID 54011056) is (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The InChIKey is KSJKYIZSDQCVMB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 54011056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).