2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C18H21N5O3 — CID 87039923

IUPAC2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C18H21N5O3/c1-14(24)21-8-10-22(11-9-21)18(26)17(25)20-16-5-2-4-15(12-16)13-23-7-3-6-19-23/h2-7,12H,8-11,13H2,1H3,(H,20,25)
InChIKeyZFXVVNFJIJURNZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.56
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 87039923) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID87039923
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C18H21N5O3/c1-14(24)21-8-10-22(11-9-21)18(26)17(25)20-16-5-2-4-15(12-16)13-23-7-3-6-19-23/h2-7,12H,8-11,13H2,1H3,(H,20,25)
InChIKeyZFXVVNFJIJURNZ-UHFFFAOYSA-N
XLogP0.56
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87043890
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 92613321

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 87039923) is 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is ZFXVVNFJIJURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-14(24)21-8-10-22(11-9-21)18(26)17(25)20-16-5-2-4-15(12-16)13-23-7-3-6-19-23/h2-7,12H,8-11,13H2,1H3,(H,20,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 87039923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).