[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone

C18H23N3O3S — CID 91918927

IUPAC[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C18H23N3O3S/c22-18(15-4-2-10-25-15)21-7-1-3-13(12-21)11-16-19-17(20-24-16)14-5-8-23-9-6-14/h2,4,10,13-14H,1,3,5-9,11-12H2
InChIKeyDPPIGFWGJPXPRS-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.12
Rot. Bonds4

About [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 91918927) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID91918927
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C18H23N3O3S/c22-18(15-4-2-10-25-15)21-7-1-3-13(12-21)11-16-19-17(20-24-16)14-5-8-23-9-6-14/h2,4,10,13-14H,1,3,5-9,11-12H2
InChIKeyDPPIGFWGJPXPRS-UHFFFAOYSA-N
XLogP3.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91908131
(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918934
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
oxan-4-yl-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918950
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 86265873
(4-bromothiophen-2-yl)-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992933
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90641503
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 91918981
1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992556

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 91918927) is [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1.
What is the InChIKey of [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is DPPIGFWGJPXPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(15-4-2-10-25-15)21-7-1-3-13(12-21)11-16-19-17(20-24-16)14-5-8-23-9-6-14/h2,4,10,13-14H,1,3,5-9,11-12H2.
What are the key properties of [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 361.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91918927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).