methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate

C15H19N3O4 — CID 7049146

IUPACmethyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(C)=O
InChIInChI=1S/C15H19N3O4/c1-11(19)18-9-8-17(10-13(18)14(20)22-2)15(21)16-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyZHKQZLCDABKGII-ZDUSSCGKSA-N
MW305.33 g/mol
LogP0.92
Rot. Bonds2

About methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate

methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate (PubChem CID 7049146) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
PubChem CID7049146
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(C)=O
InChIInChI=1S/C15H19N3O4/c1-11(19)18-9-8-17(10-13(18)14(20)22-2)15(21)16-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyZHKQZLCDABKGII-ZDUSSCGKSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate (CID 7049146) is methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate is COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(C)=O.
What is the InChIKey of methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The InChIKey is ZHKQZLCDABKGII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11(19)18-9-8-17(10-13(18)14(20)22-2)15(21)16-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1.
What are the key properties of methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate?
methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carboxylate is sourced from PubChem (CID 7049146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).