N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C22H21FN4O2 — CID 97343239

IUPACN-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C22H21FN4O2/c23-18-10-8-16(9-11-18)22(29)27-12-4-7-17(14-27)20-19(13-24-26-20)25-21(28)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyCYJGSZONDWGJQF-QGZVFWFLSA-N
MW392.43 g/mol
LogP3.82
Rot. Bonds4

About N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 97343239) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID97343239
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C22H21FN4O2/c23-18-10-8-16(9-11-18)22(29)27-12-4-7-17(14-27)20-19(13-24-26-20)25-21(28)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyCYJGSZONDWGJQF-QGZVFWFLSA-N
XLogP3.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343262
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 97343239) is N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is CYJGSZONDWGJQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-10-8-16(9-11-18)22(29)27-12-4-7-17(14-27)20-19(13-24-26-20)25-21(28)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,26)(H,25,28)/t17-/m1/s1.
What are the key properties of N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 97343239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).