N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C22H23FN4O2 — CID 71839649

IUPACN-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-4-2-3-16(13-19)21-14-20(25-26-21)15-9-11-27(12-10-15)22(28)24-18-7-5-17(23)6-8-18/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyACWWMFGBYSWCAA-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.64
Rot. Bonds4

About N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839649) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839649
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-4-2-3-16(13-19)21-14-20(25-26-21)15-9-11-27(12-10-15)22(28)24-18-7-5-17(23)6-8-18/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyACWWMFGBYSWCAA-UHFFFAOYSA-N
XLogP4.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839649) is N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH]n2)c1.
What is the InChIKey of N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is ACWWMFGBYSWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-19-4-2-3-16(13-19)21-14-20(25-26-21)15-9-11-27(12-10-15)22(28)24-18-7-5-17(23)6-8-18/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).