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

C24H27N5O4S — CID 150892676

IUPAC3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3cscc3OCc3ccc(CCN4CCOCC4)cc3)nn2)C(=O)N1
InChIInChI=1S/C24H27N5O4S/c30-23-6-5-21(24(31)25-23)29-13-20(26-27-29)19-15-34-16-22(19)33-14-18-3-1-17(2-4-18)7-8-28-9-11-32-12-10-28/h1-4,13,15-16,21H,5-12,14H2,(H,25,30,31)
InChIKeyKYIPTANZBFHHGN-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.44
Rot. Bonds8

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

3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione (PubChem CID 150892676) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
PubChem CID150892676
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3cscc3OCc3ccc(CCN4CCOCC4)cc3)nn2)C(=O)N1
InChIInChI=1S/C24H27N5O4S/c30-23-6-5-21(24(31)25-23)29-13-20(26-27-29)19-15-34-16-22(19)33-14-18-3-1-17(2-4-18)7-8-28-9-11-32-12-10-28/h1-4,13,15-16,21H,5-12,14H2,(H,25,30,31)
InChIKeyKYIPTANZBFHHGN-UHFFFAOYSA-N
XLogP2.44
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 153329201
morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 175493438
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
1-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]ethanone
CID 175493437
(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-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
CID 150360407
(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
(3S)-3-deuterio-3-[1,1-dideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915075
CID 144674073
CID 144674073

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione (CID 150892676) is 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is O=C1CCC(n2cc(-c3cscc3OCc3ccc(CCN4CCOCC4)cc3)nn2)C(=O)N1.
What is the InChIKey of 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The InChIKey is KYIPTANZBFHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c30-23-6-5-21(24(31)25-23)29-13-20(26-27-29)19-15-34-16-22(19)33-14-18-3-1-17(2-4-18)7-8-28-9-11-32-12-10-28/h1-4,13,15-16,21H,5-12,14H2,(H,25,30,31).
What are the key properties of 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione has a molecular weight of 481.58 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 150892676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).