1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one

C15H18FN5O3 — CID 86567734

IUPAC1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one
SMILESCOCC1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)CC1
InChIInChI=1S/C15H18FN5O3/c1-24-10-11-5-7-19(8-6-11)14(22)21-15(23)20(17-18-21)13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyXXQQLGXNMJDMTK-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.89
Rot. Bonds3

About 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one

1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one (PubChem CID 86567734) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one
PubChem CID86567734
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one
SMILESCOCC1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)CC1
InChIInChI=1S/C15H18FN5O3/c1-24-10-11-5-7-19(8-6-11)14(22)21-15(23)20(17-18-21)13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyXXQQLGXNMJDMTK-UHFFFAOYSA-N
XLogP0.89
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one (CID 86567734) is 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one is COCC1CCN(C(=O)n2nnn(-c3cccc(F)c3)c2=O)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one?
The InChIKey is XXQQLGXNMJDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-24-10-11-5-7-19(8-6-11)14(22)21-15(23)20(17-18-21)13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one?
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one has a molecular weight of 335.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one is sourced from PubChem (CID 86567734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).