N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C25H27FN4O2 — CID 24793148

IUPACN-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)25(31)28-24-12-15-27-30(24)21-13-17-29(18-14-21)16-4-5-19-8-10-20(26)11-9-19/h2-12,15,21H,13-14,16-18H2,1H3,(H,28,31)/b5-4+
InChIKeyASMJXIDKPABPIX-SNAWJCMRSA-N
MW434.52 g/mol
LogP4.63
Rot. Bonds7

About N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24793148) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24793148
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)25(31)28-24-12-15-27-30(24)21-13-17-29(18-14-21)16-4-5-19-8-10-20(26)11-9-19/h2-12,15,21H,13-14,16-18H2,1H3,(H,28,31)/b5-4+
InChIKeyASMJXIDKPABPIX-SNAWJCMRSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
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CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
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3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
US10246466, Example 75
CID 124166799
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24793148) is N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is ASMJXIDKPABPIX-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)25(31)28-24-12-15-27-30(24)21-13-17-29(18-14-21)16-4-5-19-8-10-20(26)11-9-19/h2-12,15,21H,13-14,16-18H2,1H3,(H,28,31)/b5-4+.
What are the key properties of N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 434.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24793148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).