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

C25H30N4O2 — CID 38137812

IUPAC1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)n1
InChIInChI=1S/C25H30N4O2/c1-17(2)20-9-6-7-11-22(20)26-25(30)19-12-14-29(15-13-19)16-23-27-24(28-31-23)21-10-5-4-8-18(21)3/h4-11,17,19H,12-16H2,1-3H3,(H,26,30)
InChIKeyPHEANRKHQBGHHZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.02
Rot. Bonds6

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

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 38137812) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID38137812
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)n1
InChIInChI=1S/C25H30N4O2/c1-17(2)20-9-6-7-11-22(20)26-25(30)19-12-14-29(15-13-19)16-23-27-24(28-31-23)21-10-5-4-8-18(21)3/h4-11,17,19H,12-16H2,1-3H3,(H,26,30)
InChIKeyPHEANRKHQBGHHZ-UHFFFAOYSA-N
XLogP5.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38153459
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38139430
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138113
N-(1-methoxypropan-2-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926789
N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926800
N-butyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38132566
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138786
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38137704
N-(3,4-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38116274
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38137799
N-(4-cyclopentyloxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138567
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 38137812) is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1ccccc1-c1noc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)n1.
What is the InChIKey of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is PHEANRKHQBGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)20-9-6-7-11-22(20)26-25(30)19-12-14-29(15-13-19)16-23-27-24(28-31-23)21-10-5-4-8-18(21)3/h4-11,17,19H,12-16H2,1-3H3,(H,26,30).
What are the key properties of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38137812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).