N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide

C24H25FN4O2 — CID 55724707

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C24H25FN4O2/c1-16-7-8-17(13-21(16)25)14-26-23(30)19-9-11-29(12-10-19)24(31)20-15-27-28-22(20)18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyYXMZNVRTPJNVFC-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 55724707) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID55724707
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C24H25FN4O2/c1-16-7-8-17(13-21(16)25)14-26-23(30)19-9-11-29(12-10-19)24(31)20-15-27-28-22(20)18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyYXMZNVRTPJNVFC-UHFFFAOYSA-N
XLogP3.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 55964211
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
CID 119287959
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-(3-amino-3-phenylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119949794
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55963310
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-[(3-fluoro-4-methylphenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78878259

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide (CID 55724707) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is YXMZNVRTPJNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-7-8-17(13-21(16)25)14-26-23(30)19-9-11-29(12-10-19)24(31)20-15-27-28-22(20)18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55724707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).