1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone

C19H20N2O3 — CID 124751798

IUPAC1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(c1ccccc1)[C@H]1CCCN(C(=O)COc2cccnc2)C1
InChIInChI=1S/C19H20N2O3/c22-18(14-24-17-9-4-10-20-12-17)21-11-5-8-16(13-21)19(23)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2/t16-/m0/s1
InChIKeyHSLVBRGKAPKVOH-INIZCTEOSA-N
MW324.38 g/mol
LogP2.58
Rot. Bonds5

About 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 124751798) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID124751798
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(c1ccccc1)[C@H]1CCCN(C(=O)COc2cccnc2)C1
InChIInChI=1S/C19H20N2O3/c22-18(14-24-17-9-4-10-20-12-17)21-11-5-8-16(13-21)19(23)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2/t16-/m0/s1
InChIKeyHSLVBRGKAPKVOH-INIZCTEOSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 122258729
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 124751798) is 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(c1ccccc1)[C@H]1CCCN(C(=O)COc2cccnc2)C1.
What is the InChIKey of 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is HSLVBRGKAPKVOH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(14-24-17-9-4-10-20-12-17)21-11-5-8-16(13-21)19(23)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 324.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 124751798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).