1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C17H19FN4O2 — CID 155879215

IUPAC1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O2/c1-19-16(24)17(22-11-3-9-20-22)8-2-10-21(12-17)15(23)13-4-6-14(18)7-5-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,24)
InChIKeyBVCPGWSEGWEZCK-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.40
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879215) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879215
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O2/c1-19-16(24)17(22-11-3-9-20-22)8-2-10-21(12-17)15(23)13-4-6-14(18)7-5-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,24)
InChIKeyBVCPGWSEGWEZCK-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879678
1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879216
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 155879673
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879215) is 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is BVCPGWSEGWEZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-16(24)17(22-11-3-9-20-22)8-2-10-21(12-17)15(23)13-4-6-14(18)7-5-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,24).
What are the key properties of 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).