3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one

C15H18N2O2 — CID 62349125

IUPAC3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(OCC2CCCNC2)cc2ccccc12
InChIInChI=1S/C15H18N2O2/c18-15-13-6-2-1-5-12(13)8-14(17-15)19-10-11-4-3-7-16-9-11/h1-2,5-6,8,11,16H,3-4,7,9-10H2,(H,17,18)
InChIKeyTZHZCFBMJUEDQJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds3

About 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one

3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one (PubChem CID 62349125) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one
PubChem CID62349125
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(OCC2CCCNC2)cc2ccccc12
InChIInChI=1S/C15H18N2O2/c18-15-13-6-2-1-5-12(13)8-14(17-15)19-10-11-4-3-7-16-9-11/h1-2,5-6,8,11,16H,3-4,7,9-10H2,(H,17,18)
InChIKeyTZHZCFBMJUEDQJ-UHFFFAOYSA-N
XLogP1.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
CID 62357366
3-[methyl(piperidin-3-ylmethyl)amino]-2H-isoquinolin-1-one
CID 106642943
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
CID 170886806
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
CID 63886031
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one?
The IUPAC name of 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one (CID 62349125) is 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one is O=c1[nH]c(OCC2CCCNC2)cc2ccccc12.
What is the InChIKey of 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one?
The InChIKey is TZHZCFBMJUEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-13-6-2-1-5-12(13)8-14(17-15)19-10-11-4-3-7-16-9-11/h1-2,5-6,8,11,16H,3-4,7,9-10H2,(H,17,18).
What are the key properties of 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one?
3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one has a molecular weight of 258.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethoxy)-2H-isoquinolin-1-one is sourced from PubChem (CID 62349125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).