[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone

C19H28N2O3S — CID 51942650

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1
InChIInChI=1S/C19H28N2O3S/c1-4-16-5-6-17(25-16)19(23)20-9-7-15(8-10-20)18(22)21-11-13(2)24-14(3)12-21/h5-6,13-15H,4,7-12H2,1-3H3/t13-,14+
InChIKeyGAXMRCUJSRSYEQ-OKILXGFUSA-N
MW364.51 g/mol
LogP2.80
Rot. Bonds3

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 51942650) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID51942650
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1
InChIInChI=1S/C19H28N2O3S/c1-4-16-5-6-17(25-16)19(23)20-9-7-15(8-10-20)18(22)21-11-13(2)24-14(3)12-21/h5-6,13-15H,4,7-12H2,1-3H3/t13-,14+
InChIKeyGAXMRCUJSRSYEQ-OKILXGFUSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 48658257
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone (CID 51942650) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone is CCc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is GAXMRCUJSRSYEQ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-4-16-5-6-17(25-16)19(23)20-9-7-15(8-10-20)18(22)21-11-13(2)24-14(3)12-21/h5-6,13-15H,4,7-12H2,1-3H3/t13-,14+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 51942650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).