2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C18H23N5O2 — CID 45182099

IUPAC2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCN1CCNC(=O)C1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H23N5O2/c1-22-10-9-20-18(25)16(22)11-17(24)19-8-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyIHIIMZVJEFXKDX-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.35
Rot. Bonds6

About 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 45182099) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID45182099
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCN1CCNC(=O)C1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H23N5O2/c1-22-10-9-20-18(25)16(22)11-17(24)19-8-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyIHIIMZVJEFXKDX-UHFFFAOYSA-N
XLogP0.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 45182099) is 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is CN1CCNC(=O)C1CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is IHIIMZVJEFXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-10-9-20-18(25)16(22)11-17(24)19-8-7-14-12-21-23(13-14)15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxopiperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 45182099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).