[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C23H30N2O3 — CID 70758176

IUPAC[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C23H30N2O3/c1-23(2,27)11-10-18-6-3-8-20(14-18)22(26)25-13-5-9-21(16-25)28-17-19-7-4-12-24-15-19/h3-4,6-8,12,14-15,21,27H,5,9-11,13,16-17H2,1-2H3
InChIKeyXDTXCWGWWUFEJP-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.61
Rot. Bonds7

About [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70758176) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70758176
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C23H30N2O3/c1-23(2,27)11-10-18-6-3-8-20(14-18)22(26)25-13-5-9-21(16-25)28-17-19-7-4-12-24-15-19/h3-4,6-8,12,14-15,21,27H,5,9-11,13,16-17H2,1-2H3
InChIKeyXDTXCWGWWUFEJP-UHFFFAOYSA-N
XLogP3.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70743047
[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 42098815

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70758176) is [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is CC(C)(O)CCc1cccc(C(=O)N2CCCC(OCc3cccnc3)C2)c1.
What is the InChIKey of [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is XDTXCWGWWUFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2,27)11-10-18-6-3-8-20(14-18)22(26)25-13-5-9-21(16-25)28-17-19-7-4-12-24-15-19/h3-4,6-8,12,14-15,21,27H,5,9-11,13,16-17H2,1-2H3.
What are the key properties of [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 382.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70758176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).