(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone

C14H19ClN2O2S — CID 122243189

IUPAC(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone
SMILESCOC1CCN(C2CN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-19-11-4-6-16(7-5-11)10-8-17(9-10)14(18)12-2-3-13(15)20-12/h2-3,10-11H,4-9H2,1H3
InChIKeyUETVDPYXQMGVDG-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.34
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 122243189) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID122243189
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone
SMILESCOC1CCN(C2CN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-19-11-4-6-16(7-5-11)10-8-17(9-10)14(18)12-2-3-13(15)20-12/h2-3,10-11H,4-9H2,1H3
InChIKeyUETVDPYXQMGVDG-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1246200
4-(5-Chlorothiophene-2-carbonyl)morpholine
CID 2225446
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
5-chloro-N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 71796139
(5-chloro-2-thienyl){4-[(R)-2-cyclopropyl-2-hydroxyethyl]-1-piperazinyl}methanone
CID 97038821
4-(5-Chlorothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 44116482
(5-Chlorothiophen-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 49720276
(5-Chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150860
(5-Chloro-2-thienyl){2-[2-(dimethylamino)ethyl]piperidino}methanone
CID 53193370
(5-Chlorothiophen-2-yl)(3-(((2-hydroxyethyl)(methyl)amino)methyl)morpholino)methanone formate
CID 71786061
4-((1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265651
N-[1-(5-Chlorothiophene-2-carbonyl)piperidin-4-YL]-N-(oxan-4-YL)cyclopropanecarboxamide
CID 91906232

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone (CID 122243189) is (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone is COC1CCN(C2CN(C(=O)c3ccc(Cl)s3)C2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is UETVDPYXQMGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-19-11-4-6-16(7-5-11)10-8-17(9-10)14(18)12-2-3-13(15)20-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 314.84 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 122243189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).