4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

C16H21NO2 — CID 84637843

IUPAC4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(CC1CCNCC1)C2=O
InChIInChI=1S/C16H21NO2/c1-19-15-4-2-3-13-14(15)10-12(16(13)18)9-11-5-7-17-8-6-11/h2-4,11-12,17H,5-10H2,1H3
InChIKeyWLBSRTSNLGUHBJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds3

About 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 84637843) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID84637843
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(CC1CCNCC1)C2=O
InChIInChI=1S/C16H21NO2/c1-19-15-4-2-3-13-14(15)10-12(16(13)18)9-11-5-7-17-8-6-11/h2-4,11-12,17H,5-10H2,1H3
InChIKeyWLBSRTSNLGUHBJ-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007
bromomethylbenzene;5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;vanadium;hydroiodide
CID 157104248
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one
CID 141276369
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
2-[(1-benzylpiperidin-4-yl)methyl]-4,5-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553545
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 143241157
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 19927818
[bromo(dideuterio)methyl]benzene;2-[[1-[dideuterio(phenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;methane
CID 159484531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one (CID 84637843) is 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is COc1cccc2c1CC(CC1CCNCC1)C2=O.
What is the InChIKey of 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is WLBSRTSNLGUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-4-2-3-13-14(15)10-12(16(13)18)9-11-5-7-17-8-6-11/h2-4,11-12,17H,5-10H2,1H3.
What are the key properties of 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one?
4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 84637843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).