[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C24H28N4O3 — CID 144739473

IUPAC[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCCC(C)(O)c1cccc(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIInChI=1S/C24H28N4O3/c1-3-24(2,30)18-8-6-9-19(16-18)31-20-10-7-15-27(17-20)23(29)21-11-4-5-12-22(21)28-25-13-14-26-28/h4-6,8-9,11-14,16,20,30H,3,7,10,15,17H2,1-2H3
InChIKeyXTGIXTNNJREAKO-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.57
Rot. Bonds6

About [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 144739473) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID144739473
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCCC(C)(O)c1cccc(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIInChI=1S/C24H28N4O3/c1-3-24(2,30)18-8-6-9-19(16-18)31-20-10-7-15-27(17-20)23(29)21-11-4-5-12-22(21)28-25-13-14-26-28/h4-6,8-9,11-14,16,20,30H,3,7,10,15,17H2,1-2H3
InChIKeyXTGIXTNNJREAKO-UHFFFAOYSA-N
XLogP3.57
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145069809
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
[3-(4-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 139565445
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 144739473) is [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is CCC(C)(O)c1cccc(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)c1.
What is the InChIKey of [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is XTGIXTNNJREAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-24(2,30)18-8-6-9-19(16-18)31-20-10-7-15-27(17-20)23(29)21-11-4-5-12-22(21)28-25-13-14-26-28/h4-6,8-9,11-14,16,20,30H,3,7,10,15,17H2,1-2H3.
What are the key properties of [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 144739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).