3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione

C25H29N5O4S — CID 150374179

IUPAC3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESC[C@@H]1CN(Cc2ccc(COc3cscc3-c3cn(C4CCC(=O)NC4=O)nn3)cc2)C[C@H](C)O1
InChIInChI=1S/C25H29N5O4S/c1-16-9-29(10-17(2)34-16)11-18-3-5-19(6-4-18)13-33-23-15-35-14-20(23)21-12-30(28-27-21)22-7-8-24(31)26-25(22)32/h3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,26,31,32)/t16-,17+,22?
InChIKeyGYIOTIGHJSIQBM-AQKKSAQBSA-N
MW495.61 g/mol
LogP3.17
Rot. Bonds7

About 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione

3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione (PubChem CID 150374179) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
PubChem CID150374179
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
SMILESC[C@@H]1CN(Cc2ccc(COc3cscc3-c3cn(C4CCC(=O)NC4=O)nn3)cc2)C[C@H](C)O1
InChIInChI=1S/C25H29N5O4S/c1-16-9-29(10-17(2)34-16)11-18-3-5-19(6-4-18)13-33-23-15-35-14-20(23)21-12-30(28-27-21)22-7-8-24(31)26-25(22)32/h3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,26,31,32)/t16-,17+,22?
InChIKeyGYIOTIGHJSIQBM-AQKKSAQBSA-N
XLogP3.17
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.17
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
3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 150892676
morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 175493438
3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
CID 150360407
(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
2-[4-[1-(2,6-dioxopiperidin-3-yl)triazol-4-yl]thiophen-2-yl]-N-[4-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]phenyl]acetamide
CID 177059983
4-bromo-2-methylthiophene;3-[4-(5-methylthiophen-3-yl)triazol-1-yl]piperidine-2,6-dione
CID 175493443
3-[7-[[4-[(2,2,3,5,6,6-hexadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582970
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]-2-[4-[1-(2,6-dioxopiperidin-3-yl)triazol-4-yl]thiophen-2-yl]acetamide
CID 177059967
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417
3-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]piperidine-2,6-dione
CID 132542942

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is C[C@@H]1CN(Cc2ccc(COc3cscc3-c3cn(C4CCC(=O)NC4=O)nn3)cc2)C[C@H](C)O1.
What is the InChIKey of 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
The InChIKey is GYIOTIGHJSIQBM-AQKKSAQBSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-16-9-29(10-17(2)34-16)11-18-3-5-19(6-4-18)13-33-23-15-35-14-20(23)21-12-30(28-27-21)22-7-8-24(31)26-25(22)32/h3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,26,31,32)/t16-,17+,22?.
What are the key properties of 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione?
3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione has a molecular weight of 495.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 150374179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).