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

C17H25NO3 — CID 141276369

IUPAC5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC(CC3CCNCC3)C2=O)CC1OC
InChIInChI=1S/C17H25NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h10-11,13,15,18H,3-9H2,1-2H3
InChIKeyRYYCLUSZMWUMLU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds4

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

5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141276369) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one
PubChem CID141276369
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC(CC3CCNCC3)C2=O)CC1OC
InChIInChI=1S/C17H25NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h10-11,13,15,18H,3-9H2,1-2H3
InChIKeyRYYCLUSZMWUMLU-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 84637843
bromomethylbenzene;5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;vanadium;hydroiodide
CID 157104248
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 143241157
7-methoxy-3-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 161338554
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
[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
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881
trimethoxy(3-piperidin-4-ylpropyl)silane
CID 68866239
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one (CID 141276369) is 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one is COC1=CC2=C(CC(CC3CCNCC3)C2=O)CC1OC.
What is the InChIKey of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is RYYCLUSZMWUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h10-11,13,15,18H,3-9H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one?
5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.21, 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)-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141276369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).