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

C22H23FN4O2 — CID 91887866

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C22H23FN4O2/c1-29-20-7-3-2-6-18(20)22(28)24-17-5-4-12-27(14-17)21-13-19(25-26-21)15-8-10-16(23)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyRDFFTCJXFFUVHX-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.62
Rot. Bonds5

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

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide (PubChem CID 91887866) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide
PubChem CID91887866
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C22H23FN4O2/c1-29-20-7-3-2-6-18(20)22(28)24-17-5-4-12-27(14-17)21-13-19(25-26-21)15-8-10-16(23)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyRDFFTCJXFFUVHX-UHFFFAOYSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-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-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide (CID 91887866) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide?
The InChIKey is RDFFTCJXFFUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-20-7-3-2-6-18(20)22(28)24-17-5-4-12-27(14-17)21-13-19(25-26-21)15-8-10-16(23)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 91887866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).