2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone

C15H19FN6O2 — CID 91842144

IUPAC2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN6O2/c16-12-3-5-13(6-4-12)24-10-11-2-1-7-21(8-11)14(23)9-22-15(17)18-19-20-22/h3-6,11H,1-2,7-10H2,(H2,17,18,20)
InChIKeyQSKALYAXAKNTSG-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.71
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone

2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone (PubChem CID 91842144) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
PubChem CID91842144
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN6O2/c16-12-3-5-13(6-4-12)24-10-11-2-1-7-21(8-11)14(23)9-22-15(17)18-19-20-22/h3-6,11H,1-2,7-10H2,(H2,17,18,20)
InChIKeyQSKALYAXAKNTSG-UHFFFAOYSA-N
XLogP0.71
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97110125
2-[2-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
CID 96573280
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95862503
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
3-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70770751
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70760398
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 126454145
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone (CID 91842144) is 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone is Nc1nnnn1CC(=O)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The InChIKey is QSKALYAXAKNTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c16-12-3-5-13(6-4-12)24-10-11-2-1-7-21(8-11)14(23)9-22-15(17)18-19-20-22/h3-6,11H,1-2,7-10H2,(H2,17,18,20).
What are the key properties of 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone has a molecular weight of 334.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91842144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).