[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone

C22H25NO3 — CID 156537068

IUPAC[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCN(C(=O)c3cccc(C4(O)COC4)c3)CC2)cc1
InChIInChI=1S/C22H25NO3/c1-16-5-7-17(8-6-16)18-9-11-23(12-10-18)21(24)19-3-2-4-20(13-19)22(25)14-26-15-22/h2-8,13,18,25H,9-12,14-15H2,1H3
InChIKeyZCMGZWRRFCJKNX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.23
Rot. Bonds3

About [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone

[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone (PubChem CID 156537068) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone
PubChem CID156537068
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCN(C(=O)c3cccc(C4(O)COC4)c3)CC2)cc1
InChIInChI=1S/C22H25NO3/c1-16-5-7-17(8-6-16)18-9-11-23(12-10-18)21(24)19-3-2-4-20(13-19)22(25)14-26-15-22/h2-8,13,18,25H,9-12,14-15H2,1H3
InChIKeyZCMGZWRRFCJKNX-UHFFFAOYSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-[3-(4-methylphenoxy)benzoyl]piperidin-4-yl]phenyl]ethanone
CID 71211978
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]methanone
CID 156537012
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
[3-[4-(4-bromophenyl)piperidine-1-carbonyl]phenyl]boronic acid
CID 166406859
2H-benzotriazol-5-yl-[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]methanone
CID 122651587
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891
[3-[[5-(4-methylphenyl)-1,3-diazinan-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 143432970
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone (CID 156537068) is [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone is Cc1ccc(C2CCN(C(=O)c3cccc(C4(O)COC4)c3)CC2)cc1.
What is the InChIKey of [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is ZCMGZWRRFCJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-5-7-17(8-6-16)18-9-11-23(12-10-18)21(24)19-3-2-4-20(13-19)22(25)14-26-15-22/h2-8,13,18,25H,9-12,14-15H2,1H3.
What are the key properties of [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone?
[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 156537068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).