2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone

C19H31N3O4S — CID 129059228

IUPAC2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCCC(CC(=O)N2CCOC(CC(=O)N3CCSCC3)C2)C1
InChIInChI=1S/C19H31N3O4S/c1-15(23)21-4-2-3-16(13-21)11-18(24)22-5-8-26-17(14-22)12-19(25)20-6-9-27-10-7-20/h16-17H,2-14H2,1H3
InChIKeyAMGYXVWLZQDBMC-UHFFFAOYSA-N
MW397.54 g/mol
LogP0.83
Rot. Bonds4

About 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone

2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone (PubChem CID 129059228) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone
PubChem CID129059228
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCCC(CC(=O)N2CCOC(CC(=O)N3CCSCC3)C2)C1
InChIInChI=1S/C19H31N3O4S/c1-15(23)21-4-2-3-16(13-21)11-18(24)22-5-8-26-17(14-22)12-19(25)20-6-9-27-10-7-20/h16-17H,2-14H2,1H3
InChIKeyAMGYXVWLZQDBMC-UHFFFAOYSA-N
XLogP0.83
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83135935
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 147849390

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone (CID 129059228) is 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone is CC(=O)N1CCCC(CC(=O)N2CCOC(CC(=O)N3CCSCC3)C2)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone?
The InChIKey is AMGYXVWLZQDBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-15(23)21-4-2-3-16(13-21)11-18(24)22-5-8-26-17(14-22)12-19(25)20-6-9-27-10-7-20/h16-17H,2-14H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone?
2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone has a molecular weight of 397.54 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129059228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).