N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C19H23FN4O2 — CID 24793249

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)nn1C
InChIInChI=1S/C19H23FN4O2/c1-13-9-16(22-23(13)2)10-21-19(26)15-7-8-18(25)24(12-15)11-14-5-3-4-6-17(14)20/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,26)
InChIKeyRUIXHRACQJELTG-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.92
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793249) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793249
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)nn1C
InChIInChI=1S/C19H23FN4O2/c1-13-9-16(22-23(13)2)10-21-19(26)15-7-8-18(25)24(12-15)11-14-5-3-4-6-17(14)20/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,26)
InChIKeyRUIXHRACQJELTG-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24793249) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RUIXHRACQJELTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13-9-16(22-23(13)2)10-21-19(26)15-7-8-18(25)24(12-15)11-14-5-3-4-6-17(14)20/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).