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

C21H24N4O2S — CID 75528390

IUPAC4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)21(26)22-16-9-11-25(12-10-16)20-14-18(23-24-20)19-4-3-13-28-19/h3-8,13-14,16H,2,9-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyHPTLMHIFEJIHSO-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.94
Rot. Bonds6

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

4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528390) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528390
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)21(26)22-16-9-11-25(12-10-16)20-14-18(23-24-20)19-4-3-13-28-19/h3-8,13-14,16H,2,9-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyHPTLMHIFEJIHSO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91904916
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
2-ethoxy-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99742178
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 91888166
3,4,5-trimethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91888122
2-(4-ethoxyphenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75528053
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818060
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
3-methyl-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741702
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528390) is 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is HPTLMHIFEJIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)21(26)22-16-9-11-25(12-10-16)20-14-18(23-24-20)19-4-3-13-28-19/h3-8,13-14,16H,2,9-12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).