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

C23H26N4O2 — CID 91904751

IUPAC4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-2-29-20-10-8-18(9-11-20)23(28)24-19-12-14-27(15-13-19)22-16-21(25-26-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,24,28)(H,25,26)
InChIKeyXFODZURYLVJRJE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.87
Rot. Bonds6

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

4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 91904751) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID91904751
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-2-29-20-10-8-18(9-11-20)23(28)24-19-12-14-27(15-13-19)22-16-21(25-26-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,24,28)(H,25,26)
InChIKeyXFODZURYLVJRJE-UHFFFAOYSA-N
XLogP3.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 91904751) is 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is XFODZURYLVJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-29-20-10-8-18(9-11-20)23(28)24-19-12-14-27(15-13-19)22-16-21(25-26-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).