2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide

C24H28N4O — CID 92633709

IUPAC2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C24H28N4O/c29-24(26-22-8-4-9-23(19-22)28-14-5-13-25-28)18-21-11-16-27(17-12-21)15-10-20-6-2-1-3-7-20/h1-9,13-14,19,21H,10-12,15-18H2,(H,26,29)
InChIKeyOUYMRUXQSQFHTF-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.16
Rot. Bonds7

About 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide

2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide (PubChem CID 92633709) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide
PubChem CID92633709
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C24H28N4O/c29-24(26-22-8-4-9-23(19-22)28-14-5-13-25-28)18-21-11-16-27(17-12-21)15-10-20-6-2-1-3-7-20/h1-9,13-14,19,21H,10-12,15-18H2,(H,26,29)
InChIKeyOUYMRUXQSQFHTF-UHFFFAOYSA-N
XLogP4.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide (CID 92633709) is 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide is O=C(CC1CCN(CCc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide?
The InChIKey is OUYMRUXQSQFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(26-22-8-4-9-23(19-22)28-14-5-13-25-28)18-21-11-16-27(17-12-21)15-10-20-6-2-1-3-7-20/h1-9,13-14,19,21H,10-12,15-18H2,(H,26,29).
What are the key properties of 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide?
2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)piperidin-4-yl]-N-(3-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 92633709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).