1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C20H24N6O2 — CID 72932505

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCCc1nnc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)o1
InChIInChI=1S/C20H24N6O2/c1-2-18-23-24-19(28-18)14-25-12-8-15(9-13-25)20(27)22-16-4-6-17(7-5-16)26-11-3-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27)
InChIKeyCDJDWJIXZRGPLK-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.67
Rot. Bonds6

About 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 72932505) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID72932505
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCCc1nnc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)o1
InChIInChI=1S/C20H24N6O2/c1-2-18-23-24-19(28-18)14-25-12-8-15(9-13-25)20(27)22-16-4-6-17(7-5-16)26-11-3-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27)
InChIKeyCDJDWJIXZRGPLK-UHFFFAOYSA-N
XLogP2.67
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 25477192
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 97275069
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 56525515
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45245025
1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 78888807
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 72932505) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is CCc1nnc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CDJDWJIXZRGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-18-23-24-19(28-18)14-25-12-8-15(9-13-25)20(27)22-16-4-6-17(7-5-16)26-11-3-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27).
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 72932505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).