(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

C18H20N2O2S — CID 122247258

IUPAC(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC(Oc2ccccn2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(18(8-2-3-9-18)15-6-5-11-23-15)20-12-14(13-20)22-16-7-1-4-10-19-16/h1,4-7,10-11,14H,2-3,8-9,12-13H2
InChIKeyHMQGNFDHXBGWNU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.24
Rot. Bonds4

About (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 122247258) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID122247258
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC(Oc2ccccn2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(18(8-2-3-9-18)15-6-5-11-23-15)20-12-14(13-20)22-16-7-1-4-10-19-16/h1,4-7,10-11,14H,2-3,8-9,12-13H2
InChIKeyHMQGNFDHXBGWNU-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122261417
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90638767
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90637462
1-(3-pyridin-2-yloxyazetidin-1-yl)-2-thiophen-2-ylethanone
CID 122247181
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 122247258) is (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CC(Oc2ccccn2)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is HMQGNFDHXBGWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(18(8-2-3-9-18)15-6-5-11-23-15)20-12-14(13-20)22-16-7-1-4-10-19-16/h1,4-7,10-11,14H,2-3,8-9,12-13H2.
What are the key properties of (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 328.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 122247258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).