1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

C25H30N4O3 — CID 43929847

IUPAC1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3OC(C)C)C2)n1
InChIInChI=1S/C25H30N4O3/c1-17(2)31-22-13-7-6-12-21(22)26-25(30)19-10-8-14-29(15-19)16-23-27-24(28-32-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,30)
InChIKeyRSJRIXFPDAEFKJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.68
Rot. Bonds7

About 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 43929847) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID43929847
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3OC(C)C)C2)n1
InChIInChI=1S/C25H30N4O3/c1-17(2)31-22-13-7-6-12-21(22)26-25(30)19-10-8-14-29(15-19)16-23-27-24(28-32-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,30)
InChIKeyRSJRIXFPDAEFKJ-UHFFFAOYSA-N
XLogP4.68
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43929643
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43929579
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43932760
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929651
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 43929734
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929591
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 43929537
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 43929847) is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is Cc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3OC(C)C)C2)n1.
What is the InChIKey of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is RSJRIXFPDAEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)31-22-13-7-6-12-21(22)26-25(30)19-10-8-14-29(15-19)16-23-27-24(28-32-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,30).
What are the key properties of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43929847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).