piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone

C17H17N5OS — CID 26358033

IUPACpiperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
SMILESO=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCCCC1
InChIInChI=1S/C17H17N5OS/c23-17(21-6-2-1-3-7-21)14-9-13(16-5-4-8-24-16)10-15(11-14)22-12-18-19-20-22/h4-5,8-12H,1-3,6-7H2
InChIKeyYMOBVMNRSZUPNW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.02
Rot. Bonds3

About piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone

piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone (PubChem CID 26358033) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
PubChem CID26358033
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Namepiperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
SMILESO=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCCCC1
InChIInChI=1S/C17H17N5OS/c23-17(21-6-2-1-3-7-21)14-9-13(16-5-4-8-24-16)10-15(11-14)22-12-18-19-20-22/h4-5,8-12H,1-3,6-7H2
InChIKeyYMOBVMNRSZUPNW-UHFFFAOYSA-N
XLogP3.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone (CID 26358033) is piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone is O=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
The InChIKey is YMOBVMNRSZUPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(21-6-2-1-3-7-21)14-9-13(16-5-4-8-24-16)10-15(11-14)22-12-18-19-20-22/h4-5,8-12H,1-3,6-7H2.
What are the key properties of piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone?
piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone has a molecular weight of 339.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone is sourced from PubChem (CID 26358033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).