3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile

C19H22N4O3S — CID 155495681

IUPAC3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
SMILESCNc1nc(C(=O)N2CCCC(COc3ccc(C#N)cc3OC)C2)cs1
InChIInChI=1S/C19H22N4O3S/c1-21-19-22-15(12-27-19)18(24)23-7-3-4-14(10-23)11-26-16-6-5-13(9-20)8-17(16)25-2/h5-6,8,12,14H,3-4,7,10-11H2,1-2H3,(H,21,22)
InChIKeyJISYDWGMUWIARE-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.00
Rot. Bonds6

About 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile

3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile (PubChem CID 155495681) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
PubChem CID155495681
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
SMILESCNc1nc(C(=O)N2CCCC(COc3ccc(C#N)cc3OC)C2)cs1
InChIInChI=1S/C19H22N4O3S/c1-21-19-22-15(12-27-19)18(24)23-7-3-4-14(10-23)11-26-16-6-5-13(9-20)8-17(16)25-2/h5-6,8,12,14H,3-4,7,10-11H2,1-2H3,(H,21,22)
InChIKeyJISYDWGMUWIARE-UHFFFAOYSA-N
XLogP3.00
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
CID 155918127
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197
4-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155503125
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 155501859
3-methoxy-4-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methoxy]benzonitrile
CID 155501347
3-methoxy-4-[[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methoxy]benzonitrile
CID 155915213
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 25277586
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 96576627
3-methoxy-4-[[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]benzonitrile
CID 155916379
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile (CID 155495681) is 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile is CNc1nc(C(=O)N2CCCC(COc3ccc(C#N)cc3OC)C2)cs1.
What is the InChIKey of 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile?
The InChIKey is JISYDWGMUWIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-21-19-22-15(12-27-19)18(24)23-7-3-4-14(10-23)11-26-16-6-5-13(9-20)8-17(16)25-2/h5-6,8,12,14H,3-4,7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile?
3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile has a molecular weight of 386.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 155495681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).