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

C20H24N2O2 — CID 91815923

IUPAC2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-19(16-6-4-3-5-7-16)20(23)22-14-10-18(11-15-22)24-17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3
InChIKeyYXPUPCSYOJCSCG-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.65
Rot. Bonds5

About 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one

2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one (PubChem CID 91815923) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
PubChem CID91815923
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-19(16-6-4-3-5-7-16)20(23)22-14-10-18(11-15-22)24-17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3
InChIKeyYXPUPCSYOJCSCG-UHFFFAOYSA-N
XLogP3.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 172717064
N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
CID 118762858

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one?
The IUPAC name of 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one (CID 91815923) is 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one is CCC(C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one?
The InChIKey is YXPUPCSYOJCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-19(16-6-4-3-5-7-16)20(23)22-14-10-18(11-15-22)24-17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3.
What are the key properties of 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one?
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 91815923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).