ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

C23H33N3O5 — CID 7707436

IUPACethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CCO)c12
InChIInChI=1S/C23H33N3O5/c1-5-31-23(29)20-15(2)25(3)17-9-10-18(30-4)22(21(17)20)24-19(28)14-26-12-7-6-8-16(26)11-13-27/h9-10,16,27H,5-8,11-14H2,1-4H3,(H,24,28)/t16-/m0/s1
InChIKeyYBDRDFUWJHHRMP-INIZCTEOSA-N
MW431.53 g/mol
LogP2.85
Rot. Bonds8

About ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (PubChem CID 7707436) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
PubChem CID7707436
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nameethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CCO)c12
InChIInChI=1S/C23H33N3O5/c1-5-31-23(29)20-15(2)25(3)17-9-10-18(30-4)22(21(17)20)24-19(28)14-26-12-7-6-8-16(26)11-13-27/h9-10,16,27H,5-8,11-14H2,1-4H3,(H,24,28)/t16-/m0/s1
InChIKeyYBDRDFUWJHHRMP-INIZCTEOSA-N
XLogP2.85
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-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 3-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 5112312
ethyl 5-methoxy-1,2-dimethyl-4-[[2-[(5R)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]acetyl]amino]indole-3-carboxylate
CID 2044850
ethyl 4-[[2-[(1S,5R)-3,3-dimethyl-6-azabicyclo[3.2.1]octan-6-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 98176866
ethyl 4-[[2-[(1S)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 1409760
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
ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 665208
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (CID 7707436) is ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CCO)c12.
What is the InChIKey of ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The InChIKey is YBDRDFUWJHHRMP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-5-31-23(29)20-15(2)25(3)17-9-10-18(30-4)22(21(17)20)24-19(28)14-26-12-7-6-8-16(26)11-13-27/h9-10,16,27H,5-8,11-14H2,1-4H3,(H,24,28)/t16-/m0/s1.
What are the key properties of ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 7707436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).