2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C18H18ClN3OS — CID 92568358

IUPAC2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1cccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1
InChIInChI=1S/C18H18ClN3OS/c19-15-4-1-3-13(11-15)12-22-8-6-14(7-9-22)17-20-21-18(23-17)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2
InChIKeyJPGHQGGXUQBIMI-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.83
Rot. Bonds4

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

2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 92568358) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID92568358
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1cccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1
InChIInChI=1S/C18H18ClN3OS/c19-15-4-1-3-13(11-15)12-22-8-6-14(7-9-22)17-20-21-18(23-17)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2
InChIKeyJPGHQGGXUQBIMI-UHFFFAOYSA-N
XLogP4.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92560822
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-[(2S)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 124955056
2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571582
2-[(2R)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571581
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116714
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
(3-chlorophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9041858
2-(4-fluorophenyl)-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 121073608

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 92568358) is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Clc1cccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is JPGHQGGXUQBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-15-4-1-3-13(11-15)12-22-8-6-14(7-9-22)17-20-21-18(23-17)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 359.88 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92568358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).