[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

C22H26N2O2 — CID 74246562

IUPAC[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1
InChIInChI=1S/C22H26N2O2/c1-16-5-2-3-12-24(16)20-14-23(15-20)22(26)19-7-4-6-18(13-19)17-8-10-21(25)11-9-17/h4,6-11,13,16,20,25H,2-3,5,12,14-15H2,1H3
InChIKeyXSRBJVCUIJIOQO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.76
Rot. Bonds3

About [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 74246562) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID74246562
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1
InChIInChI=1S/C22H26N2O2/c1-16-5-2-3-12-24(16)20-14-23(15-20)22(26)19-7-4-6-18(13-19)17-8-10-21(25)11-9-17/h4,6-11,13,16,20,25H,2-3,5,12,14-15H2,1H3
InChIKeyXSRBJVCUIJIOQO-UHFFFAOYSA-N
XLogP3.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 119067455
[3-(4-hydroxyphenyl)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135099395
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
CID 126452632
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 155500535
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 74246562) is [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is CC1CCCCN1C1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1.
What is the InChIKey of [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is XSRBJVCUIJIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-5-2-3-12-24(16)20-14-23(15-20)22(26)19-7-4-6-18(13-19)17-8-10-21(25)11-9-17/h4,6-11,13,16,20,25H,2-3,5,12,14-15H2,1H3.
What are the key properties of [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 74246562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).