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

C14H16FN5O — CID 744261

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C14H16FN5O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeyJARDZNMLXHBKAW-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.49
Rot. Bonds3

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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 744261) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID744261
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C14H16FN5O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeyJARDZNMLXHBKAW-UHFFFAOYSA-N
XLogP1.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4S)-4-aminoazepan-1-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 95723061
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
1-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 133117520
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 861127
N-[4-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440082
1-pyrrolidin-1-yl-2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]ethanone
CID 5299055
4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 78819339
[2-(azocan-1-yl)-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678145
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 860141
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 744261) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCCCC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is JARDZNMLXHBKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 289.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 744261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).