N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide

C20H21FN4OS — CID 91904825

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C20H21FN4OS/c21-16-5-3-15(4-6-16)18-11-19(24-23-18)25-8-1-2-17(12-25)22-20(26)10-14-7-9-27-13-14/h3-7,9,11,13,17H,1-2,8,10,12H2,(H,22,26)(H,23,24)
InChIKeyBIHXZDDJYITBHB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.61
Rot. Bonds5

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 91904825) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID91904825
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C20H21FN4OS/c21-16-5-3-15(4-6-16)18-11-19(24-23-18)25-8-1-2-17(12-25)22-20(26)10-14-7-9-27-13-14/h3-7,9,11,13,17H,1-2,8,10,12H2,(H,22,26)(H,23,24)
InChIKeyBIHXZDDJYITBHB-UHFFFAOYSA-N
XLogP3.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide (CID 91904825) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is BIHXZDDJYITBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-16-5-3-15(4-6-16)18-11-19(24-23-18)25-8-1-2-17(12-25)22-20(26)10-14-7-9-27-13-14/h3-7,9,11,13,17H,1-2,8,10,12H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 384.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91904825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).