N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C20H25FN4O2 — CID 24790850

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H25FN4O2/c1-13-17(14(2)24-23-13)9-10-22-20(27)16-7-8-19(26)25(12-16)11-15-5-3-4-6-18(15)21/h3-6,16H,7-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyDFXVWEXLHIJRQT-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790850) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790850
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H25FN4O2/c1-13-17(14(2)24-23-13)9-10-22-20(27)16-7-8-19(26)25(12-16)11-15-5-3-4-6-18(15)21/h3-6,16H,7-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyDFXVWEXLHIJRQT-UHFFFAOYSA-N
XLogP2.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790850) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DFXVWEXLHIJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13-17(14(2)24-23-13)9-10-22-20(27)16-7-8-19(26)25(12-16)11-15-5-3-4-6-18(15)21/h3-6,16H,7-12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).