5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one

C17H23NO3 — CID 69201224

IUPAC5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)CC2
InChIInChI=1S/C17H23NO3/c1-20-16-11-13-5-6-15(19)14(13)12-17(16)21-10-9-18-7-3-2-4-8-18/h11-12H,2-10H2,1H3
InChIKeyBDQAXKXEEODUSX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.69
Rot. Bonds5

About 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one

5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one (PubChem CID 69201224) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
PubChem CID69201224
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)CC2
InChIInChI=1S/C17H23NO3/c1-20-16-11-13-5-6-15(19)14(13)12-17(16)21-10-9-18-7-3-2-4-8-18/h11-12H,2-10H2,1H3
InChIKeyBDQAXKXEEODUSX-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3152
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CID 5741
Tilorone
CID 5475
Proroxan
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Tilorone Hydrochloride
CID 33958
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
Donepezil Hydrochloride Monohydrate
CID 11697764
2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-
CID 10762160
Pitofenone
CID 121098
Desbenzyl donepezil
CID 10446897
(R)-donepezil
CID 1150567
(E)-2-{4-[(Dimethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 25197364

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one (CID 69201224) is 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one is COc1cc2c(cc1OCCN1CCCCC1)C(=O)CC2.
What is the InChIKey of 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
The InChIKey is BDQAXKXEEODUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-16-11-13-5-6-15(19)14(13)12-17(16)21-10-9-18-7-3-2-4-8-18/h11-12H,2-10H2,1H3.
What are the key properties of 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one?
5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 69201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).