2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

C15H18FN5O — CID 591008

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3ccccc3F)n2)C1
InChIInChI=1S/C15H18FN5O/c1-11-5-4-8-20(9-11)14(22)10-21-18-15(17-19-21)12-6-2-3-7-13(12)16/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyFAHLQSHQPIAXCN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.74
Rot. Bonds3

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 591008) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID591008
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3ccccc3F)n2)C1
InChIInChI=1S/C15H18FN5O/c1-11-5-4-8-20(9-11)14(22)10-21-18-15(17-19-21)12-6-2-3-7-13(12)16/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyFAHLQSHQPIAXCN-UHFFFAOYSA-N
XLogP1.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 591008) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cn2nnc(-c3ccccc3F)n2)C1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is FAHLQSHQPIAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-11-5-4-8-20(9-11)14(22)10-21-18-15(17-19-21)12-6-2-3-7-13(12)16/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 303.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 591008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).