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

C20H24N6O2 — CID 72868956

IUPACN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-2-18-23-19(28-24-18)16-6-3-4-7-17(16)22-20(27)25-12-8-15(9-13-25)14-26-11-5-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27)
InChIKeyXNSNLWXXZBLLFU-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds5

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

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 72868956) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID72868956
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-2-18-23-19(28-24-18)16-6-3-4-7-17(16)22-20(27)25-12-8-15(9-13-25)14-26-11-5-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27)
InChIKeyXNSNLWXXZBLLFU-UHFFFAOYSA-N
XLogP3.44
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 156607915
N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773389
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 72924476
(5S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 97454468
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 72868956) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is CCc1noc(-c2ccccc2NC(=O)N2CCC(Cn3cccn3)CC2)n1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is XNSNLWXXZBLLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-18-23-19(28-24-18)16-6-3-4-7-17(16)22-20(27)25-12-8-15(9-13-25)14-26-11-5-10-21-26/h3-7,10-11,15H,2,8-9,12-14H2,1H3,(H,22,27).
What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 72868956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).