(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone

C20H20N4O2 — CID 166270023

IUPAC(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCCC(c2cn[nH]n2)C1
InChIInChI=1S/C20H20N4O2/c25-20(24-12-4-5-16(14-24)19-13-21-23-22-19)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,13,16H,4-5,12,14H2,(H,21,22,23)
InChIKeyFYVUEBVQULYCCR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.62
Rot. Bonds4

About (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone

(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 166270023) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID166270023
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCCC(c2cn[nH]n2)C1
InChIInChI=1S/C20H20N4O2/c25-20(24-12-4-5-16(14-24)19-13-21-23-22-19)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,13,16H,4-5,12,14H2,(H,21,22,23)
InChIKeyFYVUEBVQULYCCR-UHFFFAOYSA-N
XLogP3.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone (CID 166270023) is (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCCC(c2cn[nH]n2)C1.
What is the InChIKey of (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is FYVUEBVQULYCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(24-12-4-5-16(14-24)19-13-21-23-22-19)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,13,16H,4-5,12,14H2,(H,21,22,23).
What are the key properties of (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166270023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).