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

C25H30N4O2 — CID 90642054

IUPAC3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCc1ccccc1-c1noc(CC2CCCN(C(=O)NCCCc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O2/c1-19-9-5-6-14-22(19)24-27-23(31-28-24)17-21-13-8-16-29(18-21)25(30)26-15-7-12-20-10-3-2-4-11-20/h2-6,9-11,14,21H,7-8,12-13,15-18H2,1H3,(H,26,30)
InChIKeyBFKQAQJCZWVURG-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.64
Rot. Bonds7

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

3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 90642054) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID90642054
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCc1ccccc1-c1noc(CC2CCCN(C(=O)NCCCc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O2/c1-19-9-5-6-14-22(19)24-27-23(31-28-24)17-21-13-8-16-29(18-21)25(30)26-15-7-12-20-10-3-2-4-11-20/h2-6,9-11,14,21H,7-8,12-13,15-18H2,1H3,(H,26,30)
InChIKeyBFKQAQJCZWVURG-UHFFFAOYSA-N
XLogP4.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642399
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 86265980
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 99993635
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 90642014
N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90642051
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 91628654
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90641934
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90641947
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 99993504

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 90642054) is 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide is Cc1ccccc1-c1noc(CC2CCCN(C(=O)NCCCc3ccccc3)C2)n1.
What is the InChIKey of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is BFKQAQJCZWVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-9-5-6-14-22(19)24-27-23(31-28-24)17-21-13-8-16-29(18-21)25(30)26-15-7-12-20-10-3-2-4-11-20/h2-6,9-11,14,21H,7-8,12-13,15-18H2,1H3,(H,26,30).
What are the key properties of 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 90642054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).