ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

C21H32N2O2S — CID 143120430

IUPACethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCC.CCc1cc(-c2ccc(CN3CCCC(OC)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C19H26N2O2S.C2H6/c1-4-14-10-17(13(2)20-19(14)22)18-8-7-16(24-18)12-21-9-5-6-15(11-21)23-3;1-2/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,22);1-2H3
InChIKeyCHEIPXJALOGMLY-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.61
Rot. Bonds5

About ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 143120430) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID143120430
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Nameethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCC.CCc1cc(-c2ccc(CN3CCCC(OC)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C19H26N2O2S.C2H6/c1-4-14-10-17(13(2)20-19(14)22)18-8-7-16(24-18)12-21-9-5-6-15(11-21)23-3;1-2/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,22);1-2H3
InChIKeyCHEIPXJALOGMLY-UHFFFAOYSA-N
XLogP4.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
CID 143120448
5-[5-[[[1-(cyclohexylmethyl)piperidin-4-yl]amino]methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one;dihydrochloride
CID 67492471
3-ethyl-5-[5-[(1-ethylpyrrolidin-2-yl)methylamino]sulfanylthiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 143120478
4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
CID 71133239
3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
CID 58808576
3-ethyl-6-methyl-5-[5-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 67492190
3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one
CID 67492595
3-ethyl-6-methyl-5-[5-(4-phenylbutyl)thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 162241896
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11698515
3-ethyl-5-[5-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propylsulfonyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 157244439
1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (CID 143120430) is ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is CC.CCc1cc(-c2ccc(CN3CCCC(OC)C3)s2)c(C)[nH]c1=O.
What is the InChIKey of ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is CHEIPXJALOGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S.C2H6/c1-4-14-10-17(13(2)20-19(14)22)18-8-7-16(24-18)12-21-9-5-6-15(11-21)23-3;1-2/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,22);1-2H3.
What are the key properties of ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 376.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143120430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).