5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one

C17H23NO3 — CID 22311400

IUPAC5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(C1CCN(C)CC1)C2
InChIInChI=1S/C17H23NO3/c1-18-6-4-11(5-7-18)13-8-12-9-15(20-2)16(21-3)10-14(12)17(13)19/h9-11,13H,4-8H2,1-3H3
InChIKeyMVZLYJFUQKBCAA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds3

About 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one

5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one (PubChem CID 22311400) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
PubChem CID22311400
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(C1CCN(C)CC1)C2
InChIInChI=1S/C17H23NO3/c1-18-6-4-11(5-7-18)13-8-12-9-15(20-2)16(21-3)10-14(12)17(13)19/h9-11,13H,4-8H2,1-3H3
InChIKeyMVZLYJFUQKBCAA-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
2-azido-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 152782403
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
5,6-dimethoxy-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101493
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101491
2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid
CID 10755171

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one (CID 22311400) is 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(=O)C(C1CCN(C)CC1)C2.
What is the InChIKey of 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one?
The InChIKey is MVZLYJFUQKBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-6-4-11(5-7-18)13-8-12-9-15(20-2)16(21-3)10-14(12)17(13)19/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one?
5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 22311400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).