4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one

C20H24N2O2 — CID 71801294

IUPAC4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(10-4-8-17-6-2-1-3-7-17)22-14-11-18(12-15-22)24-19-9-5-13-21-16-19/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2
InChIKeyHVUHPVOOGBAXKS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds6

About 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one

4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one (PubChem CID 71801294) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
PubChem CID71801294
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(10-4-8-17-6-2-1-3-7-17)22-14-11-18(12-15-22)24-19-9-5-13-21-16-19/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2
InChIKeyHVUHPVOOGBAXKS-UHFFFAOYSA-N
XLogP3.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
4-bromo-1-(3-pyridin-3-yloxyazetidin-1-yl)butan-1-one
CID 110208407
2-(4-nitrophenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566015
6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
CID 90629096
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 96560292
1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 70761084
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one (CID 71801294) is 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one is O=C(CCCc1ccccc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one?
The InChIKey is HVUHPVOOGBAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(10-4-8-17-6-2-1-3-7-17)22-14-11-18(12-15-22)24-19-9-5-13-21-16-19/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2.
What are the key properties of 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one?
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 71801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).