ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate

C18H25NO2 — CID 22509377

IUPACethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate
SMILESCCOC(=O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)8-12-19-13-10-18(11-14-19)9-7-15-5-3-4-6-16(15)18/h3-6H,2,7-14H2,1H3
InChIKeyCCIOHBVWJNIXLG-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.92
Rot. Bonds4

About ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate

ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate (PubChem CID 22509377) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate
PubChem CID22509377
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate
SMILESCCOC(=O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)8-12-19-13-10-18(11-14-19)9-7-15-5-3-4-6-16(15)18/h3-6H,2,7-14H2,1H3
InChIKeyCCIOHBVWJNIXLG-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
CID 68895680
3-(2,3-Dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)propanoic acid
CID 69265225
3-(2,3-Dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)propanoic acid hydrochloride
CID 69765042
Ethyl 3-(4-(4-fluorophenyl)-1-piperidyl)propionate
CID 22012231
Ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate
CID 12566009
ethyl (9aS)-9a-benzyl-3,9-dihydro-1H-indeno[2,1-c]pyridine-2-carboxylate
CID 102300854
3-(1'h-Spiro[indene-1,4'-piperidin]-1'-yl)propanal
CID 129886263
Niosh/TN5951560
CID 50851993
1-[3-(Acetyloxy)propyl]-1-methyl-4-phenylpiperidinium
CID 1822677
Ethyl 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-piperidinepropionate
CID 9976631
Ethyl 3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]propanoate
CID 10068081
Ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride
CID 10200133

Frequently Asked Questions

What is the IUPAC name of ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate?
The IUPAC name of ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate (CID 22509377) is ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate.
What is the SMILES notation for ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate?
The canonical SMILES for ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate is CCOC(=O)CCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate?
The InChIKey is CCIOHBVWJNIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-21-17(20)8-12-19-13-10-18(11-14-19)9-7-15-5-3-4-6-16(15)18/h3-6H,2,7-14H2,1H3.
What are the key properties of ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate?
ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate has a molecular weight of 287.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoate is sourced from PubChem (CID 22509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).