(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C16H18ClN3O2S — CID 86265873

IUPAC(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H18ClN3O2S/c17-13-6-5-12(23-13)16(21)20-7-1-2-10(9-20)8-14-18-15(19-22-14)11-3-4-11/h5-6,10-11H,1-4,7-9H2
InChIKeyJVMNAQDKGBRMKC-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.76
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 86265873) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID86265873
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H18ClN3O2S/c17-13-6-5-12(23-13)16(21)20-7-1-2-10(9-20)8-14-18-15(19-22-14)11-3-4-11/h5-6,10-11H,1-4,7-9H2
InChIKeyJVMNAQDKGBRMKC-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 86265873) is (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCCC(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JVMNAQDKGBRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-13-6-5-12(23-13)16(21)20-7-1-2-10(9-20)8-14-18-15(19-22-14)11-3-4-11/h5-6,10-11H,1-4,7-9H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 351.86 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 86265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).