2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide

C19H23FN4O2 — CID 71689521

IUPAC2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(=O)N(C)C1c1cccc(F)c1
InChIInChI=1S/C19H23FN4O2/c1-11-17(12(2)24(4)22-11)21-19(26)15-8-9-16(25)23(3)18(15)13-6-5-7-14(20)10-13/h5-7,10,15,18H,8-9H2,1-4H3,(H,21,26)
InChIKeyGMOFLXIDWBGYNU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide

2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 71689521) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID71689521
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(=O)N(C)C1c1cccc(F)c1
InChIInChI=1S/C19H23FN4O2/c1-11-17(12(2)24(4)22-11)21-19(26)15-8-9-16(25)23(3)18(15)13-6-5-7-14(20)10-13/h5-7,10,15,18H,8-9H2,1-4H3,(H,21,26)
InChIKeyGMOFLXIDWBGYNU-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide (CID 71689521) is 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1CCC(=O)N(C)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is GMOFLXIDWBGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-11-17(12(2)24(4)22-11)21-19(26)15-8-9-16(25)23(3)18(15)13-6-5-7-14(20)10-13/h5-7,10,15,18H,8-9H2,1-4H3,(H,21,26).
What are the key properties of 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide?
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71689521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).