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

C20H22N4OS — CID 91887783

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C20H22N4OS/c25-20(11-15-8-10-26-14-15)21-17-7-4-9-24(13-17)19-12-18(22-23-19)16-5-2-1-3-6-16/h1-3,5-6,8,10,12,14,17H,4,7,9,11,13H2,(H,21,25)(H,22,23)
InChIKeyNJTSSTUYZSOGSY-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.47
Rot. Bonds5

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

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 91887783) 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-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID91887783
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C20H22N4OS/c25-20(11-15-8-10-26-14-15)21-17-7-4-9-24(13-17)19-12-18(22-23-19)16-5-2-1-3-6-16/h1-3,5-6,8,10,12,14,17H,4,7,9,11,13H2,(H,21,25)(H,22,23)
InChIKeyNJTSSTUYZSOGSY-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-3-ylacetamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide (CID 91887783) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is NJTSSTUYZSOGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(11-15-8-10-26-14-15)21-17-7-4-9-24(13-17)19-12-18(22-23-19)16-5-2-1-3-6-16/h1-3,5-6,8,10,12,14,17H,4,7,9,11,13H2,(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-3-ylacetamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-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-3-ylacetamide is sourced from PubChem (CID 91887783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).