N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C21H21N5O2 — CID 78876546

IUPACN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCN1
InChIInChI=1S/C21H21N5O2/c27-20(14-16-2-6-19(7-3-16)26-12-1-10-23-26)24-17-4-8-18(9-5-17)25-13-11-22-21(28)15-25/h1-10,12H,11,13-15H2,(H,22,28)(H,24,27)
InChIKeyHRRFSKNWGUOTEN-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.99
Rot. Bonds5

About N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 78876546) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID78876546
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCN1
InChIInChI=1S/C21H21N5O2/c27-20(14-16-2-6-19(7-3-16)26-12-1-10-23-26)24-17-4-8-18(9-5-17)25-13-11-22-21(28)15-25/h1-10,12H,11,13-15H2,(H,22,28)(H,24,27)
InChIKeyHRRFSKNWGUOTEN-UHFFFAOYSA-N
XLogP1.99
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78866394
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78883362
2-methyl-1-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863376
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 60570752
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
N-(9H-fluoren-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472205
1-ethyl-2-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863667
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836
5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46473375
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 86991458

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 78876546) is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is O=C1CN(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCN1.
What is the InChIKey of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is HRRFSKNWGUOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(14-16-2-6-19(7-3-16)26-12-1-10-23-26)24-17-4-8-18(9-5-17)25-13-11-22-21(28)15-25/h1-10,12H,11,13-15H2,(H,22,28)(H,24,27).
What are the key properties of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 78876546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).