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

C14H16FN5O2 — CID 67669355

IUPAC2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COn1nnnc1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FN5O2/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)22-10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeySHLQLMRYRCGTPJ-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.92
Rot. Bonds4

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

2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone (PubChem CID 67669355) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone
PubChem CID67669355
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COn1nnnc1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FN5O2/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)22-10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeySHLQLMRYRCGTPJ-UHFFFAOYSA-N
XLogP0.92
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 67669857
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
CID 9421864
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 59152277
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2642079
(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
CID 5007426
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
1-(azepan-1-yl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1146196
(2-oxo-2-piperidin-1-ylethyl) 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681866

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone (CID 67669355) is 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone is O=C(COn1nnnc1-c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone?
The InChIKey is SHLQLMRYRCGTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)22-10-13(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-1-yl]oxy-1-piperidin-1-ylethanone?
2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone has a molecular weight of 305.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 67669355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).