5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

C17H23NO3 — CID 11231574

IUPAC5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(OC)c1)C(=O)C(CC1CCNCC1)C2
InChIInChI=1S/C17H23NO3/c1-20-14-9-12-8-13(7-11-3-5-18-6-4-11)17(19)16(12)15(10-14)21-2/h9-11,13,18H,3-8H2,1-2H3
InChIKeyATSSNMOMYIZMKO-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.45
Rot. Bonds4

About 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 11231574) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID11231574
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(OC)c1)C(=O)C(CC1CCNCC1)C2
InChIInChI=1S/C17H23NO3/c1-20-14-9-12-8-13(7-11-3-5-18-6-4-11)17(19)16(12)15(10-14)21-2/h9-11,13,18H,3-8H2,1-2H3
InChIKeyATSSNMOMYIZMKO-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 ≤ 500289.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Desbenzyl donepezil
CID 10446897
4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine hydrochloride
CID 14553606
1-Benzyl-4-[(5,7-dimethoxy-1-oxoindan-2-yl)methyl]piperidine
CID 10523776
5,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 11160043
2-[(1-Benzylpiperidin-4-yl)methyl]-5,6,7-trimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553547
[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl](2,4-dimethoxyphenyl)methanone
CID 16187491
4-Pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;chloride
CID 37170
Propiophenone, 3-(4-methylpiperidino)-2',4',6'-trimethoxy-
CID 205821
(E)-1-[2,4-dimethoxy-5-(1-methylpiperidin-4-yl)phenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 44436942
Perfomedil
CID 65831
5-methoxyspiro(indene-2,4'-piperidin)-1(3H)-one hydrochloride
CID 71743419
4-Piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 215347

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (CID 11231574) is 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is COc1cc2c(c(OC)c1)C(=O)C(CC1CCNCC1)C2.
What is the InChIKey of 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is ATSSNMOMYIZMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-14-9-12-8-13(7-11-3-5-18-6-4-11)17(19)16(12)15(10-14)21-2/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 289.37 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 5,7-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 11231574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).