N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C24H27FN4O3 — CID 24790087

IUPACN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)ccc1F
InChIInChI=1S/C24H27FN4O3/c1-31-21-6-4-3-5-19(21)24(30)27-23-9-12-26-29(23)18-10-13-28(14-11-18)16-17-7-8-20(25)22(15-17)32-2/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,27,30)
InChIKeyTZQOYTDJDVVKHU-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.13
Rot. Bonds7

About N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24790087) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24790087
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)ccc1F
InChIInChI=1S/C24H27FN4O3/c1-31-21-6-4-3-5-19(21)24(30)27-23-9-12-26-29(23)18-10-13-28(14-11-18)16-17-7-8-20(25)22(15-17)32-2/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,27,30)
InChIKeyTZQOYTDJDVVKHU-UHFFFAOYSA-N
XLogP4.13
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24790087) is N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)ccc1F.
What is the InChIKey of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is TZQOYTDJDVVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-31-21-6-4-3-5-19(21)24(30)27-23-9-12-26-29(23)18-10-13-28(14-11-18)16-17-7-8-20(25)22(15-17)32-2/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 438.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24790087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).