1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone

C17H23N5O — CID 860139

IUPAC1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
SMILESCC(C)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O/c1-13(2)14-6-8-15(9-7-14)17-18-20-22(19-17)12-16(23)21-10-4-3-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyQFFVPUMEHLKREQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.48
Rot. Bonds4

About 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone

1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone (PubChem CID 860139) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
PubChem CID860139
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
SMILESCC(C)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O/c1-13(2)14-6-8-15(9-7-14)17-18-20-22(19-17)12-16(23)21-10-4-3-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyQFFVPUMEHLKREQ-UHFFFAOYSA-N
XLogP2.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone (CID 860139) is 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone is CC(C)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is QFFVPUMEHLKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(2)14-6-8-15(9-7-14)17-18-20-22(19-17)12-16(23)21-10-4-3-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 860139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).