(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

C22H22N2O3 — CID 158213092

IUPAC(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C22H22N2O3/c25-22(21-12-11-20(27-21)17-7-2-1-3-8-17)24-14-5-4-9-18(24)16-26-19-10-6-13-23-15-19/h1-3,6-8,10-13,15,18H,4-5,9,14,16H2
InChIKeyIYTHISVLJNKMIO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.42
Rot. Bonds5

About (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 158213092) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID158213092
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)o1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C22H22N2O3/c25-22(21-12-11-20(27-21)17-7-2-1-3-8-17)24-14-5-4-9-18(24)16-26-19-10-6-13-23-15-19/h1-3,6-8,10-13,15,18H,4-5,9,14,16H2
InChIKeyIYTHISVLJNKMIO-UHFFFAOYSA-N
XLogP4.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796692
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 159745251
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
[5-(4-methoxyphenyl)furan-2-yl]-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797003
[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 123977373
tert-butyl 4-(5-phenylfuran-2-carbonyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 161075955
(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 158554982
[5-(2,4-dichlorophenyl)furan-2-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797196
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517
[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 70780277
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
(5-phenylthiophen-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796546

Frequently Asked Questions

What is the IUPAC name of (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (CID 158213092) is (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)o1)N1CCCCC1COc1cccnc1.
What is the InChIKey of (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is IYTHISVLJNKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-22(21-12-11-20(27-21)17-7-2-1-3-8-17)24-14-5-4-9-18(24)16-26-19-10-6-13-23-15-19/h1-3,6-8,10-13,15,18H,4-5,9,14,16H2.
What are the key properties of (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158213092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).