[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate

C17H23N3O3 — CID 167476998

IUPAC[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate
SMILESCNCCc1c[nH]c2cccc(OC(=O)OC3CCNCC3)c12
InChIInChI=1S/C17H23N3O3/c1-18-8-5-12-11-20-14-3-2-4-15(16(12)14)23-17(21)22-13-6-9-19-10-7-13/h2-4,11,13,18-20H,5-10H2,1H3
InChIKeyZMTGNAQJWGNOJT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.20
Rot. Bonds5

About [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate

[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate (PubChem CID 167476998) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate.

Molecular Properties

Compound Name[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate
PubChem CID167476998
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate
SMILESCNCCc1c[nH]c2cccc(OC(=O)OC3CCNCC3)c12
InChIInChI=1S/C17H23N3O3/c1-18-8-5-12-11-20-14-3-2-4-15(16(12)14)23-17(21)22-13-6-9-19-10-7-13/h2-4,11,13,18-20H,5-10H2,1H3
InChIKeyZMTGNAQJWGNOJT-UHFFFAOYSA-N
XLogP2.20
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(methylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 170218830
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
CID 167476958
[3-[2-(ethylamino)ethyl]-1H-indol-4-yl] 3,3-dimethylbutanoate
CID 177196034
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] azetidine-3-carboxylate
CID 176589045
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
[3-[2-deuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164700571
2-[4-[(2S)-2-amino-2-cyclopropylacetyl]oxy-1H-indol-3-yl]ethyl-dimethylazanium
CID 169186156
3-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]oxy]-3-oxopropanoic acid
CID 169222515
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 154785065
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
dipiperidin-4-yl carbonate
CID 129132812

Frequently Asked Questions

What is the IUPAC name of [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate?
The IUPAC name of [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate (CID 167476998) is [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate.
What is the SMILES notation for [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate?
The canonical SMILES for [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate is CNCCc1c[nH]c2cccc(OC(=O)OC3CCNCC3)c12.
What is the InChIKey of [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate?
The InChIKey is ZMTGNAQJWGNOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-8-5-12-11-20-14-3-2-4-15(16(12)14)23-17(21)22-13-6-9-19-10-7-13/h2-4,11,13,18-20H,5-10H2,1H3.
What are the key properties of [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate?
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate has a molecular weight of 317.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methylamino)ethyl]-1H-indol-4-yl] piperidin-4-yl carbonate is sourced from PubChem (CID 167476998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).