1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C13H17N5OS — CID 1166120

IUPAC1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H17N5OS/c1-10-4-6-17(7-5-10)12(19)9-18-15-13(14-16-18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWPBVKKGLXMROSL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.66
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 1166120) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID1166120
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H17N5OS/c1-10-4-6-17(7-5-10)12(19)9-18-15-13(14-16-18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWPBVKKGLXMROSL-UHFFFAOYSA-N
XLogP1.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 1166120) is 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is CC1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is WPBVKKGLXMROSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10-4-6-17(7-5-10)12(19)9-18-15-13(14-16-18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 291.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 1166120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).