1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone

C20H22N2O3 — CID 91766002

IUPAC1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C20H22N2O3/c1-15(23)18-9-2-3-10-19(18)20(24)22-12-6-8-17(13-22)25-14-16-7-4-5-11-21-16/h2-5,7,9-11,17H,6,8,12-14H2,1H3
InChIKeyQWUQOQUDQBEGHL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone

1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 91766002) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
PubChem CID91766002
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C20H22N2O3/c1-15(23)18-9-2-3-10-19(18)20(24)22-12-6-8-17(13-22)25-14-16-7-4-5-11-21-16/h2-5,7,9-11,17H,6,8,12-14H2,1H3
InChIKeyQWUQOQUDQBEGHL-UHFFFAOYSA-N
XLogP3.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 96574450
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97137325
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone (CID 91766002) is 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is QWUQOQUDQBEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(23)18-9-2-3-10-19(18)20(24)22-12-6-8-17(13-22)25-14-16-7-4-5-11-21-16/h2-5,7,9-11,17H,6,8,12-14H2,1H3.
What are the key properties of 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone?
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 91766002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).