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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Related Compounds

N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 86567593
[4-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]piperazin-1-yl] N,N-diethylcarbamate
CID 130221706
1-(3-fluorophenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]tetrazol-5-one
CID 86567392
1-(3-fluorophenyl)-4-(2-prop-1-ynylpyrrolidine-1-carbonyl)tetrazol-5-one
CID 130241736
[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl] methyl carbonate
CID 130221707
4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 130242142
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutane-1,4-dione
CID 71984258
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
CID 130220779
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-[3-(trifluoromethoxy)phenyl]tetrazol-5-one
CID 86567002
(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979402
1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24819358

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).