N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C22H24N4O3 — CID 74232670

IUPACN-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)22(28)26-11-9-17(10-12-26)21(27)23-14-18-8-5-13-29-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAOOZETOLVQTGGQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.15
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 74232670) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID74232670
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)22(28)26-11-9-17(10-12-26)21(27)23-14-18-8-5-13-29-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAOOZETOLVQTGGQ-UHFFFAOYSA-N
XLogP3.15
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
CID 154860142
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 110666323
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
1-N-[(1-ethylcyclobutyl)methyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 75377699
1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 72918464
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
1-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 43815642
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 74232670) is N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is AOOZETOLVQTGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)22(28)26-11-9-17(10-12-26)21(27)23-14-18-8-5-13-29-18/h2-8,13,17H,9-12,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 74232670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).