(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone

C20H24N2O3 — CID 71998730

IUPAC(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCCOC1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-19-7-5-13-22(14-19)20(23)16-8-10-18(11-9-16)25-15-17-6-3-4-12-21-17/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3
InChIKeyDZIZOMCKFNCQJJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds6

About (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone

(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 71998730) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID71998730
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCCOC1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-19-7-5-13-22(14-19)20(23)16-8-10-18(11-9-16)25-15-17-6-3-4-12-21-17/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3
InChIKeyDZIZOMCKFNCQJJ-UHFFFAOYSA-N
XLogP3.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone (CID 71998730) is (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone is CCOC1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is DZIZOMCKFNCQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-19-7-5-13-22(14-19)20(23)16-8-10-18(11-9-16)25-15-17-6-3-4-12-21-17/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 71998730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).