ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate

C21H30N2O4 — CID 11268835

IUPACethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
SMILESCCOCCn1cc(C2CCN(C(=O)OCC)CC2)c2cc(OC)ccc21
InChIInChI=1S/C21H30N2O4/c1-4-26-13-12-23-15-19(18-14-17(25-3)6-7-20(18)23)16-8-10-22(11-9-16)21(24)27-5-2/h6-7,14-16H,4-5,8-13H2,1-3H3
InChIKeyIZWALWPHSOFYEX-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.02
Rot. Bonds7

About ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate

ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate (PubChem CID 11268835) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
PubChem CID11268835
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
SMILESCCOCCn1cc(C2CCN(C(=O)OCC)CC2)c2cc(OC)ccc21
InChIInChI=1S/C21H30N2O4/c1-4-26-13-12-23-15-19(18-14-17(25-3)6-7-20(18)23)16-8-10-22(11-9-16)21(24)27-5-2/h6-7,14-16H,4-5,8-13H2,1-3H3
InChIKeyIZWALWPHSOFYEX-UHFFFAOYSA-N
XLogP4.02
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole
CID 11174156
2-[2-[4-[1-(2-ethoxyethyl)-5-fluoroindol-3-yl]piperidin-1-yl]ethoxy]-4-methoxybenzoic acid;2-[2-[4-[1-(2-ethoxyethyl)-7-methylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 159698935
1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 24720536
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate
CID 69411834
3,5-dibromo-2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 23444886
2-[4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 11259138
2-[4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444838
ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69412395
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
CID 90128387
2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11282005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate (CID 11268835) is ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate is CCOCCn1cc(C2CCN(C(=O)OCC)CC2)c2cc(OC)ccc21.
What is the InChIKey of ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate?
The InChIKey is IZWALWPHSOFYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-26-13-12-23-15-19(18-14-17(25-3)6-7-20(18)23)16-8-10-22(11-9-16)21(24)27-5-2/h6-7,14-16H,4-5,8-13H2,1-3H3.
What are the key properties of ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate?
ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).