1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

C23H26N4O4 — CID 2937573

IUPAC1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C23H26N4O4/c1-15-8-6-7-11-27(15)20(28)14-26-13-16(17-9-4-5-10-19(17)26)12-18-21(29)24(2)23(31)25(3)22(18)30/h4-5,9-10,12-13,15H,6-8,11,14H2,1-3H3
InChIKeyPOIIIVOKQJQMPF-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.48
Rot. Bonds3

About 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2937573) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2937573
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C23H26N4O4/c1-15-8-6-7-11-27(15)20(28)14-26-13-16(17-9-4-5-10-19(17)26)12-18-21(29)24(2)23(31)25(3)22(18)30/h4-5,9-10,12-13,15H,6-8,11,14H2,1-3H3
InChIKeyPOIIIVOKQJQMPF-UHFFFAOYSA-N
XLogP2.48
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 2937573) is 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is CC1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is POIIIVOKQJQMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15-8-6-7-11-27(15)20(28)14-26-13-16(17-9-4-5-10-19(17)26)12-18-21(29)24(2)23(31)25(3)22(18)30/h4-5,9-10,12-13,15H,6-8,11,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 422.49 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2937573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).