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

C22H24N4O2 — CID 50814395

IUPAC1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccccc4)CC3)no2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)22-24-20(25-28-22)15-26-13-11-17(12-14-26)21(27)23-19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,23,27)
InChIKeyNFTDARFZDGYZQG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds5

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

1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 50814395) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID50814395
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccccc4)CC3)no2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)22-24-20(25-28-22)15-26-13-11-17(12-14-26)21(27)23-19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,23,27)
InChIKeyNFTDARFZDGYZQG-UHFFFAOYSA-N
XLogP3.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 46367686
N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814406
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733375
N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367709

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide (CID 50814395) is 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide is Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccccc4)CC3)no2)cc1.
What is the InChIKey of 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is NFTDARFZDGYZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-9-18(10-8-16)22-24-20(25-28-22)15-26-13-11-17(12-14-26)21(27)23-19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,23,27).
What are the key properties of 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide?
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 50814395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).