[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

C14H16FN5O — CID 95985448

IUPAC[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN5O/c1-10-4-2-3-9-19(10)14(21)13-16-18-20(17-13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyYNGRYDOQGVKWEJ-JTQLQIEISA-N
MW289.31 g/mol
LogP1.82
Rot. Bonds2

About [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 95985448) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID95985448
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN5O/c1-10-4-2-3-9-19(10)14(21)13-16-18-20(17-13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyYNGRYDOQGVKWEJ-JTQLQIEISA-N
XLogP1.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 94862004
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537550
[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7626813
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
1-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-2-yl]ethanone
CID 126827318
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791623
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95157198
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 95985448) is [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is C[C@H]1CCCCN1C(=O)c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is YNGRYDOQGVKWEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN5O/c1-10-4-2-3-9-19(10)14(21)13-16-18-20(17-13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1.
What are the key properties of [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 289.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95985448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).