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

C23H25FN4O2 — CID 91904814

IUPAC2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C23H25FN4O2/c1-2-30-21-8-4-3-7-19(21)23(29)25-18-6-5-13-28(15-18)22-14-20(26-27-22)16-9-11-17(24)12-10-16/h3-4,7-12,14,18H,2,5-6,13,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyOFCSNTBBIKMROY-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.01
Rot. Bonds6

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

2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 91904814) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID91904814
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C23H25FN4O2/c1-2-30-21-8-4-3-7-19(21)23(29)25-18-6-5-13-28(15-18)22-14-20(26-27-22)16-9-11-17(24)12-10-16/h3-4,7-12,14,18H,2,5-6,13,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyOFCSNTBBIKMROY-UHFFFAOYSA-N
XLogP4.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 91904814) is 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is OFCSNTBBIKMROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-2-30-21-8-4-3-7-19(21)23(29)25-18-6-5-13-28(15-18)22-14-20(26-27-22)16-9-11-17(24)12-10-16/h3-4,7-12,14,18H,2,5-6,13,15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 91904814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).