furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

C16H16N4O2S — CID 29026809

IUPACfuran-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H16N4O2S/c21-16(15-2-1-8-22-15)19-6-3-13(4-7-19)20-10-14(17-18-20)12-5-9-23-11-12/h1-2,5,8-11,13H,3-4,6-7H2
InChIKeyVUBFWLTZBABDCH-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.08
Rot. Bonds3

About furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 29026809) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID29026809
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Namefuran-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H16N4O2S/c21-16(15-2-1-8-22-15)19-6-3-13(4-7-19)20-10-14(17-18-20)12-5-9-23-11-12/h1-2,5,8-11,13H,3-4,6-7H2
InChIKeyVUBFWLTZBABDCH-UHFFFAOYSA-N
XLogP3.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (CID 29026809) is furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is VUBFWLTZBABDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(15-2-1-8-22-15)19-6-3-13(4-7-19)20-10-14(17-18-20)12-5-9-23-11-12/h1-2,5,8-11,13H,3-4,6-7H2.
What are the key properties of furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 29026809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).