[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone

C23H23NO3S — CID 166377497

IUPAC[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)cc1
InChIInChI=1S/C23H23NO3S/c1-26-20-6-8-21(9-7-20)27-22-10-13-24(14-11-22)23(25)18-4-2-17(3-5-18)19-12-15-28-16-19/h2-9,12,15-16,22H,10-11,13-14H2,1H3
InChIKeyJLEFMFNNRFGAPB-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.11
Rot. Bonds5

About [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone (PubChem CID 166377497) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
PubChem CID166377497
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)cc1
InChIInChI=1S/C23H23NO3S/c1-26-20-6-8-21(9-7-20)27-22-10-13-24(14-11-22)23(25)18-4-2-17(3-5-18)19-12-15-28-16-19/h2-9,12,15-16,22H,10-11,13-14H2,1H3
InChIKeyJLEFMFNNRFGAPB-UHFFFAOYSA-N
XLogP5.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160270

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone (CID 166377497) is [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone is COc1ccc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The InChIKey is JLEFMFNNRFGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-26-20-6-8-21(9-7-20)27-22-10-13-24(14-11-22)23(25)18-4-2-17(3-5-18)19-12-15-28-16-19/h2-9,12,15-16,22H,10-11,13-14H2,1H3.
What are the key properties of [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone has a molecular weight of 393.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone is sourced from PubChem (CID 166377497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).