2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

C17H21NO2 — CID 97452649

IUPAC2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESCCOCC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C17H21NO2/c1-2-20-13-16(19)18-11-9-17(10-12-18)8-7-14-5-3-4-6-15(14)17/h3-8H,2,9-13H2,1H3
InChIKeyFQRVEVDVQCQYGE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.61
Rot. Bonds3

About 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (PubChem CID 97452649) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
PubChem CID97452649
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESCCOCC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C17H21NO2/c1-2-20-13-16(19)18-11-9-17(10-12-18)8-7-14-5-3-4-6-15(14)17/h3-8H,2,9-13H2,1H3
InChIKeyFQRVEVDVQCQYGE-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (CID 97452649) is 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is CCOCC(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The InChIKey is FQRVEVDVQCQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-13-16(19)18-11-9-17(10-12-18)8-7-14-5-3-4-6-15(14)17/h3-8H,2,9-13H2,1H3.
What are the key properties of 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone has a molecular weight of 271.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 97452649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).