(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone

C23H22N2O3 — CID 166232036

IUPAC(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cn1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C23H22N2O3/c26-23(22-14-13-20(16-24-22)27-18-8-3-1-4-9-18)25-15-7-12-21(17-25)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21H,7,12,15,17H2
InChIKeyGBKXCHOQQCRPCA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.56
Rot. Bonds5

About (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone

(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone (PubChem CID 166232036) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
PubChem CID166232036
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cn1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C23H22N2O3/c26-23(22-14-13-20(16-24-22)27-18-8-3-1-4-9-18)25-15-7-12-21(17-25)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21H,7,12,15,17H2
InChIKeyGBKXCHOQQCRPCA-UHFFFAOYSA-N
XLogP4.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
CID 166180817
[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
CID 136586890
[6-[(3S)-3-hydroxypiperidine-1-carbonyl]-3-pyridinyl] carbamate
CID 174952249
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230

Frequently Asked Questions

What is the IUPAC name of (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone?
The IUPAC name of (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone (CID 166232036) is (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone is O=C(c1ccc(Oc2ccccc2)cn1)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone?
The InChIKey is GBKXCHOQQCRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(22-14-13-20(16-24-22)27-18-8-3-1-4-9-18)25-15-7-12-21(17-25)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21H,7,12,15,17H2.
What are the key properties of (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone?
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 166232036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).