3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole

C18H25N5OS — CID 53162684

IUPAC3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCCN(c2ccc(-c3noc(CN4CCSCC4)n3)cn2)C1
InChIInChI=1S/C18H25N5OS/c1-14-3-2-6-23(12-14)16-5-4-15(11-19-16)18-20-17(24-21-18)13-22-7-9-25-10-8-22/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeyJBVKAZJVAISQDJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.92
Rot. Bonds4

About 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole

3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 53162684) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID53162684
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCCN(c2ccc(-c3noc(CN4CCSCC4)n3)cn2)C1
InChIInChI=1S/C18H25N5OS/c1-14-3-2-6-23(12-14)16-5-4-15(11-19-16)18-20-17(24-21-18)13-22-7-9-25-10-8-22/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeyJBVKAZJVAISQDJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 95100376
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 53162814
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
3-(3-fluoro-4-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 51081883
furan-2-yl-[4-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 53162637
3-(4-tert-butylphenyl)-5-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 110278172
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 26773043
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole (CID 53162684) is 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole is CC1CCCN(c2ccc(-c3noc(CN4CCSCC4)n3)cn2)C1.
What is the InChIKey of 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JBVKAZJVAISQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-3-2-6-23(12-14)16-5-4-15(11-19-16)18-20-17(24-21-18)13-22-7-9-25-10-8-22/h4-5,11,14H,2-3,6-10,12-13H2,1H3.
What are the key properties of 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 359.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53162684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).