N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide

C20H22N4OS — CID 91887752

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C20H22N4OS/c25-20(12-17-9-5-11-26-17)21-16-8-4-10-24(14-16)19-13-18(22-23-19)15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2,(H,21,25)(H,22,23)
InChIKeyYQFYXRSERLZLKW-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 91887752) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID91887752
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C20H22N4OS/c25-20(12-17-9-5-11-26-17)21-16-8-4-10-24(14-16)19-13-18(22-23-19)15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2,(H,21,25)(H,22,23)
InChIKeyYQFYXRSERLZLKW-UHFFFAOYSA-N
XLogP3.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide (CID 91887752) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YQFYXRSERLZLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(12-17-9-5-11-26-17)21-16-8-4-10-24(14-16)19-13-18(22-23-19)15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2,(H,21,25)(H,22,23).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91887752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).