2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

C17H18N4OS — CID 121116702

IUPAC2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cncc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1
InChIInChI=1S/C17H18N4OS/c1-2-13(10-18-6-1)11-21-7-3-14(4-8-21)16-19-20-17(22-16)15-5-9-23-12-15/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2
InChIKeyBTXPUQHBFRJQCF-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.57
Rot. Bonds4

About 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 121116702) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID121116702
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cncc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1
InChIInChI=1S/C17H18N4OS/c1-2-13(10-18-6-1)11-21-7-3-14(4-8-21)16-19-20-17(22-16)15-5-9-23-12-15/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2
InChIKeyBTXPUQHBFRJQCF-UHFFFAOYSA-N
XLogP3.57
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116714
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116704
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117253
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116730
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 121116733
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 121116702) is 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is c1cncc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is BTXPUQHBFRJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-13(10-18-6-1)11-21-7-3-14(4-8-21)16-19-20-17(22-16)15-5-9-23-12-15/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2.
What are the key properties of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 326.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121116702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).