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

C17H18N4O2S — CID 29256186

IUPAC(3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccoc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C17H18N4O2S/c1-12-4-8-23-16(12)17(22)20-6-2-14(3-7-20)21-10-15(18-19-21)13-5-9-24-11-13/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyYKAOXASYEKYJTG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.39
Rot. Bonds3

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

(3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 29256186) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID29256186
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccoc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C17H18N4O2S/c1-12-4-8-23-16(12)17(22)20-6-2-14(3-7-20)21-10-15(18-19-21)13-5-9-24-11-13/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyYKAOXASYEKYJTG-UHFFFAOYSA-N
XLogP3.39
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (CID 29256186) is (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is Cc1ccoc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is YKAOXASYEKYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-4-8-23-16(12)17(22)20-6-2-14(3-7-20)21-10-15(18-19-21)13-5-9-24-11-13/h4-5,8-11,14H,2-3,6-7H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
(3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 29256186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).