tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate

C20H30N2O3 — CID 10383009

IUPACtert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(OCCN3CCCCC3)ccc21
InChIInChI=1S/C20H30N2O3/c1-20(2,3)25-19(23)22-12-9-16-15-17(7-8-18(16)22)24-14-13-21-10-5-4-6-11-21/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyKTNURIWKSJDKCD-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate

tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate (PubChem CID 10383009) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate
PubChem CID10383009
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(OCCN3CCCCC3)ccc21
InChIInChI=1S/C20H30N2O3/c1-20(2,3)25-19(23)22-12-9-16-15-17(7-8-18(16)22)24-14-13-21-10-5-4-6-11-21/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyKTNURIWKSJDKCD-UHFFFAOYSA-N
XLogP3.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate (CID 10383009) is tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(OCCN3CCCCC3)ccc21.
What is the InChIKey of tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate?
The InChIKey is KTNURIWKSJDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)25-19(23)22-12-9-16-15-17(7-8-18(16)22)24-14-13-21-10-5-4-6-11-21/h7-8,15H,4-6,9-14H2,1-3H3.
What are the key properties of tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10383009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).