2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

C15H19N5O — CID 863245

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-12-5-7-13(8-6-12)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyBMLUAVAUYFVSQY-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.66
Rot. Bonds3

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 863245) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID863245
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-12-5-7-13(8-6-12)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyBMLUAVAUYFVSQY-UHFFFAOYSA-N
XLogP1.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 863245) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is BMLUAVAUYFVSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-5-7-13(8-6-12)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 285.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 863245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).