2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one

C19H21N3O2 — CID 123315267

IUPAC2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one
SMILESO=C1c2cccc(OCc3ccccn3)c2CN1C1CCCNC1
InChIInChI=1S/C19H21N3O2/c23-19-16-7-3-8-18(24-13-14-5-1-2-10-21-14)17(16)12-22(19)15-6-4-9-20-11-15/h1-3,5,7-8,10,15,20H,4,6,9,11-13H2
InChIKeyOYALJBCUWRHNHA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds4

About 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one

2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one (PubChem CID 123315267) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one
PubChem CID123315267
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one
SMILESO=C1c2cccc(OCc3ccccn3)c2CN1C1CCCNC1
InChIInChI=1S/C19H21N3O2/c23-19-16-7-3-8-18(24-13-14-5-1-2-10-21-14)17(16)12-22(19)15-6-4-9-20-11-15/h1-3,5,7-8,10,15,20H,4,6,9,11-13H2
InChIKeyOYALJBCUWRHNHA-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
CID 154000705
4-(2-amino-1-phenylethoxy)-2-piperidin-3-yl-3H-isoindol-1-one;ethylcyclobutane
CID 174677393
4-[2-[2-(2-aminoethoxy)ethoxy]ethylsulfonyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175716605
4-fluoro-2-[(3R)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 86276896
3-[3-oxo-7-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162770991
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984542
(2-cyclopentyl-1-oxo-3H-isoindol-4-yl) 2-oxobutanoate
CID 22385719
2-oxo-2-[5-[3-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidin-2-yl]acetaldehyde
CID 174665320
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
[4-[[1-oxo-2-(2-oxoazepan-3-yl)-3H-isoindol-4-yl]oxymethyl]phenyl]methylcarbamic acid
CID 175025203
2-(4-methylidene-2-oxocyclohexyl)-4-phenylmethoxy-3H-isoindol-1-one
CID 147611609

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one?
The IUPAC name of 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one (CID 123315267) is 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one.
What is the SMILES notation for 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one?
The canonical SMILES for 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one is O=C1c2cccc(OCc3ccccn3)c2CN1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one?
The InChIKey is OYALJBCUWRHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19-16-7-3-8-18(24-13-14-5-1-2-10-21-14)17(16)12-22(19)15-6-4-9-20-11-15/h1-3,5,7-8,10,15,20H,4,6,9,11-13H2.
What are the key properties of 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one?
2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one has a molecular weight of 323.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one is sourced from PubChem (CID 123315267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).