ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate

C21H30N2O3 — CID 15341740

IUPACethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C21H30N2O3/c1-3-25-21(24)6-4-5-13-26-17-7-8-20-18(14-17)19(15-22-20)16-9-11-23(2)12-10-16/h7-8,14-16,22H,3-6,9-13H2,1-2H3
InChIKeyXSXKSYJNTZSDPF-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.09
Rot. Bonds8

About ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate

ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate (PubChem CID 15341740) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate.

Molecular Properties

Compound Nameethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
PubChem CID15341740
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nameethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C21H30N2O3/c1-3-25-21(24)6-4-5-13-26-17-7-8-20-18(14-17)19(15-22-20)16-9-11-23(2)12-10-16/h7-8,14-16,22H,3-6,9-13H2,1-2H3
InChIKeyXSXKSYJNTZSDPF-UHFFFAOYSA-N
XLogP4.09
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate with MolForge

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate
CID 142158688
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10182471
(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126787585
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate?
The IUPAC name of ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate (CID 15341740) is ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate.
What is the SMILES notation for ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate?
The canonical SMILES for ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate is CCOC(=O)CCCCOc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate?
The InChIKey is XSXKSYJNTZSDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-25-21(24)6-4-5-13-26-17-7-8-20-18(14-17)19(15-22-20)16-9-11-23(2)12-10-16/h7-8,14-16,22H,3-6,9-13H2,1-2H3.
What are the key properties of ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate?
ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate has a molecular weight of 358.48 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate is sourced from PubChem (CID 15341740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).