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

C20H25FN4O2 — CID 24817651

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nn1C
InChIInChI=1S/C20H25FN4O2/c1-14-10-18(23-24(14)2)12-22-20(27)16-6-7-19(26)25(13-16)9-8-15-4-3-5-17(21)11-15/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H,22,27)
InChIKeyCNIZOWZJLPPGMF-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.97
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817651) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817651
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nn1C
InChIInChI=1S/C20H25FN4O2/c1-14-10-18(23-24(14)2)12-22-20(27)16-6-7-19(26)25(13-16)9-8-15-4-3-5-17(21)11-15/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H,22,27)
InChIKeyCNIZOWZJLPPGMF-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.97
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-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817651) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CNIZOWZJLPPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14-10-18(23-24(14)2)12-22-20(27)16-6-7-19(26)25(13-16)9-8-15-4-3-5-17(21)11-15/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 1.97, 6 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-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).