2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone

C20H21N5O2 — CID 118738119

IUPAC2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c26-19(15-27-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-21-23-25(22-20)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1
InChIKeyNPEFVQLJZKNUJI-GOSISDBHSA-N
MW363.42 g/mol
LogP2.79
Rot. Bonds5

About 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone

2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 118738119) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID118738119
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c26-19(15-27-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-21-23-25(22-20)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1
InChIKeyNPEFVQLJZKNUJI-GOSISDBHSA-N
XLogP2.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenoxyethanone
CID 141173736
1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263652
1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110240399
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 95293830
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
CID 68688527
4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoic acid
CID 25117748
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
N-methyl-N-[[6-(methylamino)-2-[(2S)-1-(2-phenoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 92624243
3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 68687363

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone (CID 118738119) is 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is NPEFVQLJZKNUJI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(15-27-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-21-23-25(22-20)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 363.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118738119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).