N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide

C20H24N4O2 — CID 2685109

IUPACN-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O2/c25-19(22-20(26)21-15-17-7-3-1-4-8-17)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,21,22,25,26)
InChIKeyWUFFZIIJBJCFDT-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.83
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2685109) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2685109
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O2/c25-19(22-20(26)21-15-17-7-3-1-4-8-17)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,21,22,25,26)
InChIKeyWUFFZIIJBJCFDT-UHFFFAOYSA-N
XLogP1.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 2685109) is N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is WUFFZIIJBJCFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(22-20(26)21-15-17-7-3-1-4-8-17)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,21,22,25,26).
What are the key properties of N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2685109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).