N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C23H24ClFN4O2 — CID 26407145

IUPACN-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-31-21-5-3-2-4-18(21)23(30)27-22-8-11-26-29(22)17-9-12-28(13-10-17)15-16-6-7-19(24)20(25)14-16/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,27,30)
InChIKeyHXTBINFYDJTDKP-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.77
Rot. Bonds6

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

N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 26407145) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID26407145
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-31-21-5-3-2-4-18(21)23(30)27-22-8-11-26-29(22)17-9-12-28(13-10-17)15-16-6-7-19(24)20(25)14-16/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,27,30)
InChIKeyHXTBINFYDJTDKP-UHFFFAOYSA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 26407145) is N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is HXTBINFYDJTDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-31-21-5-3-2-4-18(21)23(30)27-22-8-11-26-29(22)17-9-12-28(13-10-17)15-16-6-7-19(24)20(25)14-16/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 442.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 26407145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).