morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione

C27H34N6O5S — CID 175493438

IUPACmorpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESC1COCCN1.O=C1CCC(n2cc(-c3cscc3OCc3cccc(CN4CCOCC4)c3)nn2)C(=O)N1
InChIInChI=1S/C23H25N5O4S.C4H9NO/c29-22-5-4-20(23(30)24-22)28-12-19(25-26-28)18-14-33-15-21(18)32-13-17-3-1-2-16(10-17)11-27-6-8-31-9-7-27;1-3-6-4-2-5-1/h1-3,10,12,14-15,20H,4-9,11,13H2,(H,24,29,30);5H,1-4H2
InChIKeyKREASTPEVYKGAZ-UHFFFAOYSA-N
MW554.67 g/mol
LogP2.00
Rot. Bonds7

About morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione

morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione (PubChem CID 175493438) has the molecular formula C27H34N6O5S and a molecular weight of 554.67 g/mol. Its IUPAC name is morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Namemorpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
PubChem CID175493438
Molecular FormulaC27H34N6O5S
Molecular Weight554.67 g/mol
Exact Mass554.23
IUPAC Namemorpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESC1COCCN1.O=C1CCC(n2cc(-c3cscc3OCc3cccc(CN4CCOCC4)c3)nn2)C(=O)N1
InChIInChI=1S/C23H25N5O4S.C4H9NO/c29-22-5-4-20(23(30)24-22)28-12-19(25-26-28)18-14-33-15-21(18)32-13-17-3-1-2-16(10-17)11-27-6-8-31-9-7-27;1-3-6-4-2-5-1/h1-3,10,12,14-15,20H,4-9,11,13H2,(H,24,29,30);5H,1-4H2
InChIKeyKREASTPEVYKGAZ-UHFFFAOYSA-N
XLogP2.00
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 150892676
3-[4-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 153329201
3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 150374179
3-[3-oxo-7-[[2,3,6-trideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582876
(3R)-3-[4,5,6-trideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915014
3-[1,4,5,6-tetradeuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582828
3-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 123832326
(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 149240574
3-[7-[[dideuterio-[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817357
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
CID 150360407
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863

Frequently Asked Questions

What is the IUPAC name of morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The IUPAC name of morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione (CID 175493438) is morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is C1COCCN1.O=C1CCC(n2cc(-c3cscc3OCc3cccc(CN4CCOCC4)c3)nn2)C(=O)N1.
What is the InChIKey of morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The InChIKey is KREASTPEVYKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S.C4H9NO/c29-22-5-4-20(23(30)24-22)28-12-19(25-26-28)18-14-33-15-21(18)32-13-17-3-1-2-16(10-17)11-27-6-8-31-9-7-27;1-3-6-4-2-5-1/h1-3,10,12,14-15,20H,4-9,11,13H2,(H,24,29,30);5H,1-4H2.
What are the key properties of morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione has a molecular weight of 554.67 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 175493438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).