(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C13H16N4OS — CID 71807071

IUPAC(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3ccsc3)CC2)nn1
InChIInChI=1S/C13H16N4OS/c1-16-8-12(14-15-16)13(18)17-5-2-10(3-6-17)11-4-7-19-9-11/h4,7-10H,2-3,5-6H2,1H3
InChIKeyYUFVWMPCPVQQNX-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.90
Rot. Bonds2

About (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71807071) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71807071
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3ccsc3)CC2)nn1
InChIInChI=1S/C13H16N4OS/c1-16-8-12(14-15-16)13(18)17-5-2-10(3-6-17)11-4-7-19-9-11/h4,7-10H,2-3,5-6H2,1H3
InChIKeyYUFVWMPCPVQQNX-UHFFFAOYSA-N
XLogP1.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71807071) is (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is Cn1cc(C(=O)N2CCC(c3ccsc3)CC2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is YUFVWMPCPVQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-8-12(14-15-16)13(18)17-5-2-10(3-6-17)11-4-7-19-9-11/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71807071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).