4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

C22H22N6O2 — CID 139003901

IUPAC4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCn1ncc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5)CC4)n3)cc21
InChIInChI=1S/C22H22N6O2/c1-27-19-13-16(7-8-17(19)14-23-27)20-25-21(30-26-20)15-9-11-28(12-10-15)22(29)24-18-5-3-2-4-6-18/h2-8,13-15H,9-12H2,1H3,(H,24,29)
InChIKeyFVZUFLLTXDGTNF-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.03
Rot. Bonds3

About 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 139003901) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID139003901
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCn1ncc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5)CC4)n3)cc21
InChIInChI=1S/C22H22N6O2/c1-27-19-13-16(7-8-17(19)14-23-27)20-25-21(30-26-20)15-9-11-28(12-10-15)22(29)24-18-5-3-2-4-6-18/h2-8,13-15H,9-12H2,1H3,(H,24,29)
InChIKeyFVZUFLLTXDGTNF-UHFFFAOYSA-N
XLogP4.03
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 1456372
tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
2-(1-methylcyclopropyl)-1-[4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 134478123
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 139003901) is 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is Cn1ncc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5)CC4)n3)cc21.
What is the InChIKey of 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is FVZUFLLTXDGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-19-13-16(7-8-17(19)14-23-27)20-25-21(30-26-20)15-9-11-28(12-10-15)22(29)24-18-5-3-2-4-6-18/h2-8,13-15H,9-12H2,1H3,(H,24,29).
What are the key properties of 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 139003901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).