ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate

C23H27N3O2 — CID 69415426

IUPACethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-2-28-23(27)25-14-10-18(11-15-25)21-17-26(22-9-4-3-8-20(21)22)16-12-19-7-5-6-13-24-19/h3-9,13,17-18H,2,10-12,14-16H2,1H3
InChIKeyRVASIKMMVIJZGE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.61
Rot. Bonds5

About ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate

ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate (PubChem CID 69415426) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
PubChem CID69415426
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Nameethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-2-28-23(27)25-14-10-18(11-15-25)21-17-26(22-9-4-3-8-20(21)22)16-12-19-7-5-6-13-24-19/h3-9,13,17-18H,2,10-12,14-16H2,1H3
InChIKeyRVASIKMMVIJZGE-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate (CID 69415426) is ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The InChIKey is RVASIKMMVIJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-28-23(27)25-14-10-18(11-15-25)21-17-26(22-9-4-3-8-20(21)22)16-12-19-7-5-6-13-24-19/h3-9,13,17-18H,2,10-12,14-16H2,1H3.
What are the key properties of ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate?
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69415426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).