5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione

C24H25N3O5S — CID 163578894

IUPAC5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione
SMILESC=C1CC[C@H](N2C(=O)c3csc(COc4ccc(CN5CCOCC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H25N3O5S/c1-15-2-7-19(22(28)25-15)27-23(29)18-14-33-20(21(18)24(27)30)13-32-17-5-3-16(4-6-17)12-26-8-10-31-11-9-26/h3-6,14,19H,1-2,7-13H2,(H,25,28)/t19-/m0/s1
InChIKeyKZKCACBBHVOWNY-IBGZPJMESA-N
MW467.55 g/mol
LogP2.55
Rot. Bonds6

About 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione

5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 163578894) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID163578894
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione
SMILESC=C1CC[C@H](N2C(=O)c3csc(COc4ccc(CN5CCOCC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H25N3O5S/c1-15-2-7-19(22(28)25-15)27-23(29)18-14-33-20(21(18)24(27)30)13-32-17-5-3-16(4-6-17)12-26-8-10-31-11-9-26/h3-6,14,19H,1-2,7-13H2,(H,25,28)/t19-/m0/s1
InChIKeyKZKCACBBHVOWNY-IBGZPJMESA-N
XLogP2.55
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

(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-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen
CID 163855419
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 174262156
5-chloro-2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione
CID 157393981
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
(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-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195469
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one
CID 118118366
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetamide
CID 155316244
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 118118461
2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 170035265

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione (CID 163578894) is 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione is C=C1CC[C@H](N2C(=O)c3csc(COc4ccc(CN5CCOCC5)cc4)c3C2=O)C(=O)N1.
What is the InChIKey of 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is KZKCACBBHVOWNY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-15-2-7-19(22(28)25-15)27-23(29)18-14-33-20(21(18)24(27)30)13-32-17-5-3-16(4-6-17)12-26-8-10-31-11-9-26/h3-6,14,19H,1-2,7-13H2,(H,25,28)/t19-/m0/s1.
What are the key properties of 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione?
5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 467.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 163578894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).