2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

C22H30N4O2 — CID 45252270

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NC2CCCN(CCc3ccccc3)C2)c1C
InChIInChI=1S/C22H30N4O2/c1-16-22(18(3)27)17(2)26(24-16)15-21(28)23-20-10-7-12-25(14-20)13-11-19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,23,28)
InChIKeyTZKORAYYSHGRBF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide (PubChem CID 45252270) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
PubChem CID45252270
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NC2CCCN(CCc3ccccc3)C2)c1C
InChIInChI=1S/C22H30N4O2/c1-16-22(18(3)27)17(2)26(24-16)15-21(28)23-20-10-7-12-25(14-20)13-11-19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,23,28)
InChIKeyTZKORAYYSHGRBF-UHFFFAOYSA-N
XLogP2.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide with MolForge

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 56715324
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide (CID 45252270) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide is CC(=O)c1c(C)nn(CC(=O)NC2CCCN(CCc3ccccc3)C2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The InChIKey is TZKORAYYSHGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-22(18(3)27)17(2)26(24-16)15-21(28)23-20-10-7-12-25(14-20)13-11-19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,23,28).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 45252270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).