3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione

C24H24N4O4 — CID 134818183

IUPAC3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3C(=O)N(C)C(c4c[nH]c5ccc(OC)cc45)C(=O)N3C)c2c1
InChIInChI=1S/C24H24N4O4/c1-27-21(17-11-25-19-7-5-13(31-3)9-15(17)19)24(30)28(2)22(23(27)29)18-12-26-20-8-6-14(32-4)10-16(18)20/h5-12,21-22,25-26H,1-4H3
InChIKeyBVDMFIHAQIRQHA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.38
Rot. Bonds4

About 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione

3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 134818183) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID134818183
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3C(=O)N(C)C(c4c[nH]c5ccc(OC)cc45)C(=O)N3C)c2c1
InChIInChI=1S/C24H24N4O4/c1-27-21(17-11-25-19-7-5-13(31-3)9-15(17)19)24(30)28(2)22(23(27)29)18-12-26-20-8-6-14(32-4)10-16(18)20/h5-12,21-22,25-26H,1-4H3
InChIKeyBVDMFIHAQIRQHA-UHFFFAOYSA-N
XLogP3.38
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 68647559
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
3-(5-methoxy-1H-indol-3-yl)-1-methylpyrrolidine-2,2,5,5-tetrol
CID 167471754
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 132838842

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione (CID 134818183) is 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione is COc1ccc2[nH]cc(C3C(=O)N(C)C(c4c[nH]c5ccc(OC)cc45)C(=O)N3C)c2c1.
What is the InChIKey of 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is BVDMFIHAQIRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-27-21(17-11-25-19-7-5-13(31-3)9-15(17)19)24(30)28(2)22(23(27)29)18-12-26-20-8-6-14(32-4)10-16(18)20/h5-12,21-22,25-26H,1-4H3.
What are the key properties of 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione?
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 432.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 134818183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).