1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

C16H25N5S — CID 3193549

IUPAC1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCCC(C)(C)n1nnnc1C(c1cccs1)N1CCCCC1
InChIInChI=1S/C16H25N5S/c1-4-16(2,3)21-15(17-18-19-21)14(13-9-8-12-22-13)20-10-6-5-7-11-20/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyCMJTYMHBPNSGDL-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.45
Rot. Bonds5

About 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (PubChem CID 3193549) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
PubChem CID3193549
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC Name1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCCC(C)(C)n1nnnc1C(c1cccs1)N1CCCCC1
InChIInChI=1S/C16H25N5S/c1-4-16(2,3)21-15(17-18-19-21)14(13-9-8-12-22-13)20-10-6-5-7-11-20/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyCMJTYMHBPNSGDL-UHFFFAOYSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (CID 3193549) is 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is CCC(C)(C)n1nnnc1C(c1cccs1)N1CCCCC1.
What is the InChIKey of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The InChIKey is CMJTYMHBPNSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-4-16(2,3)21-15(17-18-19-21)14(13-9-8-12-22-13)20-10-6-5-7-11-20/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine has a molecular weight of 319.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 3193549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).