1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

C19H25N3O2S — CID 110114059

IUPAC1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCN(C)c1cc(CCC2CN(C(=O)Cc3ccsc3)CCO2)ccn1
InChIInChI=1S/C19H25N3O2S/c1-21(2)18-11-15(5-7-20-18)3-4-17-13-22(8-9-24-17)19(23)12-16-6-10-25-14-16/h5-7,10-11,14,17H,3-4,8-9,12-13H2,1-2H3
InChIKeyOAXZAMWJPIWBAL-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 110114059) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID110114059
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCN(C)c1cc(CCC2CN(C(=O)Cc3ccsc3)CCO2)ccn1
InChIInChI=1S/C19H25N3O2S/c1-21(2)18-11-15(5-7-20-18)3-4-17-13-22(8-9-24-17)19(23)12-16-6-10-25-14-16/h5-7,10-11,14,17H,3-4,8-9,12-13H2,1-2H3
InChIKeyOAXZAMWJPIWBAL-UHFFFAOYSA-N
XLogP2.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125000357
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 124950403
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (CID 110114059) is 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is CN(C)c1cc(CCC2CN(C(=O)Cc3ccsc3)CCO2)ccn1.
What is the InChIKey of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is OAXZAMWJPIWBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(2)18-11-15(5-7-20-18)3-4-17-13-22(8-9-24-17)19(23)12-16-6-10-25-14-16/h5-7,10-11,14,17H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 359.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 110114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).