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

C22H26N6O2 — CID 90642399

IUPACN-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C22H26N6O2/c29-22(25-10-4-8-17-6-2-1-3-7-17)28-13-5-9-18(16-28)14-20-26-21(27-30-20)19-15-23-11-12-24-19/h1-3,6-7,11-12,15,18H,4-5,8-10,13-14,16H2,(H,25,29)
InChIKeyCFCILPWVMJDYBA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.12
Rot. Bonds7

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

N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 90642399) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID90642399
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C22H26N6O2/c29-22(25-10-4-8-17-6-2-1-3-7-17)28-13-5-9-18(16-28)14-20-26-21(27-30-20)19-15-23-11-12-24-19/h1-3,6-7,11-12,15,18H,4-5,8-10,13-14,16H2,(H,25,29)
InChIKeyCFCILPWVMJDYBA-UHFFFAOYSA-N
XLogP3.12
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90642054
N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642397
naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642217
1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90642251
2-(2-methylphenoxy)-1-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993910
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207
1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993764
2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993760
2-cyclopentylsulfanyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642127
2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642167
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90642279
(3,4-difluorophenyl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642211

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 90642399) is N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CFCILPWVMJDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-22(25-10-4-8-17-6-2-1-3-7-17)28-13-5-9-18(16-28)14-20-26-21(27-30-20)19-15-23-11-12-24-19/h1-3,6-7,11-12,15,18H,4-5,8-10,13-14,16H2,(H,25,29).
What are the key properties of N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90642399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).