(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C23H26N4O3 — CID 91920787

IUPAC(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2nc(CCOCc3ccccc3)no2)cn1
InChIInChI=1S/C23H26N4O3/c1-17-10-11-19(15-24-17)23(28)27-13-6-5-9-20(27)22-25-21(26-30-22)12-14-29-16-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,20H,5-6,9,12-14,16H2,1H3
InChIKeyLBELETFROXLZBX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.90
Rot. Bonds7

About (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91920787) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91920787
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2nc(CCOCc3ccccc3)no2)cn1
InChIInChI=1S/C23H26N4O3/c1-17-10-11-19(15-24-17)23(28)27-13-6-5-9-20(27)22-25-21(26-30-22)12-14-29-16-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,20H,5-6,9,12-14,16H2,1H3
InChIKeyLBELETFROXLZBX-UHFFFAOYSA-N
XLogP3.90
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(6-methyl-3-pyridinyl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192007
(6-methyl-3-pyridinyl)-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110782
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 42760371
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 131897141
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124948609

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91920787) is (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCCC2c2nc(CCOCc3ccccc3)no2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is LBELETFROXLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-10-11-19(15-24-17)23(28)27-13-6-5-9-20(27)22-25-21(26-30-22)12-14-29-16-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,20H,5-6,9,12-14,16H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91920787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).