ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate

C18H24N2O3 — CID 2351762

IUPACethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)15-7-10-19(11-8-15)13-17(21)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,2,7-13H2,1H3
InChIKeyDOXMFSBRYBRRBN-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds4

About ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 2351762) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID2351762
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)15-7-10-19(11-8-15)13-17(21)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,2,7-13H2,1H3
InChIKeyDOXMFSBRYBRRBN-UHFFFAOYSA-N
XLogP1.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate (CID 2351762) is ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is DOXMFSBRYBRRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-18(22)15-7-10-19(11-8-15)13-17(21)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,2,7-13H2,1H3.
What are the key properties of ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 2351762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).