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

C24H26F2N4O — CID 45227718

IUPACN-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C24H26F2N4O/c25-20-10-8-18(9-11-20)24-19(14-27-29-24)16-30-13-3-4-17(15-30)7-12-23(31)28-22-6-2-1-5-21(22)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,27,29)(H,28,31)
InChIKeyHLOQOBUYSNJOMN-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.99
Rot. Bonds7

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

N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 45227718) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
PubChem CID45227718
Molecular FormulaC24H26F2N4O
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C24H26F2N4O/c25-20-10-8-18(9-11-20)24-19(14-27-29-24)16-30-13-3-4-17(15-30)7-12-23(31)28-22-6-2-1-5-21(22)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,27,29)(H,28,31)
InChIKeyHLOQOBUYSNJOMN-UHFFFAOYSA-N
XLogP4.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide (CID 45227718) is N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?
The InChIKey is HLOQOBUYSNJOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O/c25-20-10-8-18(9-11-20)24-19(14-27-29-24)16-30-13-3-4-17(15-30)7-12-23(31)28-22-6-2-1-5-21(22)26/h1-2,5-6,8-11,14,17H,3-4,7,12-13,15-16H2,(H,27,29)(H,28,31).
What are the key properties of N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45227718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).