[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone

C23H26N4O2 — CID 25491632

IUPAC[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone
SMILESO=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-23(22-17-27(25-24-22)15-13-19-8-3-1-4-9-19)26-14-7-12-21(16-26)29-18-20-10-5-2-6-11-20/h1-6,8-11,17,21H,7,12-16,18H2/t21-/m0/s1
InChIKeyDHMZGVYUHVGTEJ-NRFANRHFSA-N
MW390.49 g/mol
LogP3.34
Rot. Bonds7

About [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone

[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone (PubChem CID 25491632) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone
PubChem CID25491632
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone
SMILESO=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-23(22-17-27(25-24-22)15-13-19-8-3-1-4-9-19)26-14-7-12-21(16-26)29-18-20-10-5-2-6-11-20/h1-6,8-11,17,21H,7,12-16,18H2/t21-/m0/s1
InChIKeyDHMZGVYUHVGTEJ-NRFANRHFSA-N
XLogP3.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone?
The IUPAC name of [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone (CID 25491632) is [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone is O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@H](OCc2ccccc2)C1.
What is the InChIKey of [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone?
The InChIKey is DHMZGVYUHVGTEJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(22-17-27(25-24-22)15-13-19-8-3-1-4-9-19)26-14-7-12-21(16-26)29-18-20-10-5-2-6-11-20/h1-6,8-11,17,21H,7,12-16,18H2/t21-/m0/s1.
What are the key properties of [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone?
[1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)triazol-4-yl]-[(3S)-3-phenylmethoxypiperidin-1-yl]methanone is sourced from PubChem (CID 25491632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).