(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone

C21H20N2O2S — CID 166377495

IUPAC(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C21H20N2O2S/c24-21(17-3-1-16(2-4-17)18-9-14-26-15-18)23-12-7-20(8-13-23)25-19-5-10-22-11-6-19/h1-6,9-11,14-15,20H,7-8,12-13H2
InChIKeyFRUPGHAFJAXJEP-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.49
Rot. Bonds4

About (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone

(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone (PubChem CID 166377495) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
PubChem CID166377495
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C21H20N2O2S/c24-21(17-3-1-16(2-4-17)18-9-14-26-15-18)23-12-7-20(8-13-23)25-19-5-10-22-11-6-19/h1-6,9-11,14-15,20H,7-8,12-13H2
InChIKeyFRUPGHAFJAXJEP-UHFFFAOYSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160270
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246206
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126778716

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone?
The IUPAC name of (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone (CID 166377495) is (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone.
What is the SMILES notation for (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone?
The canonical SMILES for (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone is O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone?
The InChIKey is FRUPGHAFJAXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(17-3-1-16(2-4-17)18-9-14-26-15-18)23-12-7-20(8-13-23)25-19-5-10-22-11-6-19/h1-6,9-11,14-15,20H,7-8,12-13H2.
What are the key properties of (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone?
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone is sourced from PubChem (CID 166377495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).