5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

C23H25FN4O2 — CID 156574663

IUPAC5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESCOc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C23H25FN4O2/c1-30-22-8-4-3-7-18(22)20-14-17(26-27-20)15-25-23(29)19-13-16(24)9-10-21(19)28-11-5-2-6-12-28/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyBESPBEUYWBPFIW-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.14
Rot. Bonds6

About 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (PubChem CID 156574663) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
PubChem CID156574663
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESCOc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C23H25FN4O2/c1-30-22-8-4-3-7-18(22)20-14-17(26-27-20)15-25-23(29)19-13-16(24)9-10-21(19)28-11-5-2-6-12-28/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyBESPBEUYWBPFIW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (CID 156574663) is 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is COc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1.
What is the InChIKey of 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is BESPBEUYWBPFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-22-8-4-3-7-18(22)20-14-17(26-27-20)15-25-23(29)19-13-16(24)9-10-21(19)28-11-5-2-6-12-28/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 156574663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).