ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

C25H30N4O6 — CID 665208

IUPACethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12
InChIInChI=1S/C25H30N4O6/c1-5-34-25(32)21-16(2)27(3)17-8-9-18(33-4)23(22(17)21)26-20(30)15-28-10-12-29(13-11-28)24(31)19-7-6-14-35-19/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,30)
InChIKeyXBXVXRVGSZYJTE-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.66
Rot. Bonds7

About ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (PubChem CID 665208) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
PubChem CID665208
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Nameethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12
InChIInChI=1S/C25H30N4O6/c1-5-34-25(32)21-16(2)27(3)17-8-9-18(33-4)23(22(17)21)26-20(30)15-28-10-12-29(13-11-28)24(31)19-7-6-14-35-19/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,30)
InChIKeyXBXVXRVGSZYJTE-UHFFFAOYSA-N
XLogP2.66
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 3740678
ethyl 5-carbamoyl-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 2461245
ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 7707436
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
ethyl 4-[[2-[(1R)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 1409761
2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 45361885
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 664042
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
dimethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 2414666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (CID 665208) is ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12.
What is the InChIKey of ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The InChIKey is XBXVXRVGSZYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-5-34-25(32)21-16(2)27(3)17-8-9-18(33-4)23(22(17)21)26-20(30)15-28-10-12-29(13-11-28)24(31)19-7-6-14-35-19/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,30).
What are the key properties of ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 665208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).