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

C21H24N4O2S — CID 91887968

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)Cc4ccsc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-18-6-4-16(5-7-18)19-12-20(24-23-19)25-9-2-3-17(13-25)22-21(26)11-15-8-10-28-14-15/h4-8,10,12,14,17H,2-3,9,11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyZTIOOCJMECSMFQ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.47
Rot. Bonds6

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

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 91887968) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID91887968
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)Cc4ccsc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-18-6-4-16(5-7-18)19-12-20(24-23-19)25-9-2-3-17(13-25)22-21(26)11-15-8-10-28-14-15/h4-8,10,12,14,17H,2-3,9,11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyZTIOOCJMECSMFQ-UHFFFAOYSA-N
XLogP3.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide (CID 91887968) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide is COc1ccc(-c2cc(N3CCCC(NC(=O)Cc4ccsc4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is ZTIOOCJMECSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-27-18-6-4-16(5-7-18)19-12-20(24-23-19)25-9-2-3-17(13-25)22-21(26)11-15-8-10-28-14-15/h4-8,10,12,14,17H,2-3,9,11,13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 396.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91887968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).