5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

C17H23NO3 — CID 10446897

IUPAC5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2
InChIInChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3
InChIKeyPGBZORAISITZTF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.45
Rot. Bonds4

About 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 10446897) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID10446897
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2
InChIInChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3
InChIKeyPGBZORAISITZTF-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Donepezil
CID 3152
Donepezil Hydrochloride
CID 5741
Donepezil Hydrochloride Monohydrate
CID 11697764
2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-
CID 10762160
(R)-donepezil
CID 1150567
(E)-2-{4-[(Dimethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 25197364
2-[(1-Benzyl-4-fluoropiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 72948887
2-[[4-Fluoro-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 73603358
5,6-Dimethoxy-3-phenylindan-1-one
CID 2810159
5,6-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 10878304
Donepezil Impurity 21
CID 129824804
4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine hydrochloride
CID 14553606

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (CID 10446897) is 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2.
What is the InChIKey of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is PGBZORAISITZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 10446897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).