1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide

C23H23FN4O2 — CID 55520901

IUPAC1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cnn1-c1ccccc1F
InChIInChI=1S/C23H23FN4O2/c1-16-19(14-25-28(16)21-12-6-5-11-20(21)24)23(30)27-13-7-8-17(15-27)22(29)26-18-9-3-2-4-10-18/h2-6,9-12,14,17H,7-8,13,15H2,1H3,(H,26,29)
InChIKeyQIIVPCQNYJFFTE-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 55520901) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID55520901
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cnn1-c1ccccc1F
InChIInChI=1S/C23H23FN4O2/c1-16-19(14-25-28(16)21-12-6-5-11-20(21)24)23(30)27-13-7-8-17(15-27)22(29)26-18-9-3-2-4-10-18/h2-6,9-12,14,17H,7-8,13,15H2,1H3,(H,26,29)
InChIKeyQIIVPCQNYJFFTE-UHFFFAOYSA-N
XLogP3.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 55520901) is 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cnn1-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is QIIVPCQNYJFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-19(14-25-28(16)21-12-6-5-11-20(21)24)23(30)27-13-7-8-17(15-27)22(29)26-18-9-3-2-4-10-18/h2-6,9-12,14,17H,7-8,13,15H2,1H3,(H,26,29).
What are the key properties of 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 55520901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).