[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone

C23H25N5O2S — CID 71825179

IUPAC[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCSCC1
InChIInChI=1S/C23H25N5O2S/c29-23(28-13-15-31-16-14-28)18-8-11-27(12-9-18)21-19(7-4-10-24-21)22-25-20(26-30-22)17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2
InChIKeyKRRFVOOBMOGWBW-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.59
Rot. Bonds4

About [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 71825179) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID71825179
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCSCC1
InChIInChI=1S/C23H25N5O2S/c29-23(28-13-15-31-16-14-28)18-8-11-27(12-9-18)21-19(7-4-10-24-21)22-25-20(26-30-22)17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2
InChIKeyKRRFVOOBMOGWBW-UHFFFAOYSA-N
XLogP3.59
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
1-[1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 53135799
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
CID 53135821
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 71825179) is [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCSCC1.
What is the InChIKey of [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is KRRFVOOBMOGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-23(28-13-15-31-16-14-28)18-8-11-27(12-9-18)21-19(7-4-10-24-21)22-25-20(26-30-22)17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2.
What are the key properties of [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 435.55 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 71825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).