N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide

C21H29N5O2 — CID 24794239

IUPACN-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CC1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C21H29N5O2/c1-2-24(15-16-26-12-6-10-23-26)20(27)17-19-21(28)22-11-14-25(19)13-9-18-7-4-3-5-8-18/h3-8,10,12,19H,2,9,11,13-17H2,1H3,(H,22,28)
InChIKeyOMAAHBNXYDOWTQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.16
Rot. Bonds9

About N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide

N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 24794239) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID24794239
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CC1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C21H29N5O2/c1-2-24(15-16-26-12-6-10-23-26)20(27)17-19-21(28)22-11-14-25(19)13-9-18-7-4-3-5-8-18/h3-8,10,12,19H,2,9,11,13-17H2,1H3,(H,22,28)
InChIKeyOMAAHBNXYDOWTQ-UHFFFAOYSA-N
XLogP1.16
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 24794239) is N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide is CCN(CCn1cccn1)C(=O)CC1C(=O)NCCN1CCc1ccccc1.
What is the InChIKey of N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is OMAAHBNXYDOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-24(15-16-26-12-6-10-23-26)20(27)17-19-21(28)22-11-14-25(19)13-9-18-7-4-3-5-8-18/h3-8,10,12,19H,2,9,11,13-17H2,1H3,(H,22,28).
What are the key properties of N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 24794239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).