(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C20H24N2O3 — CID 66547110

IUPAC(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOC1CCCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3/t17?,19-/m1/s1
InChIKeyNUHOYAGYYOGTKL-WHCXFUJUSA-N
MW340.42 g/mol
LogP3.20
Rot. Bonds4

About (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 66547110) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID66547110
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOC1CCCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3/t17?,19-/m1/s1
InChIKeyNUHOYAGYYOGTKL-WHCXFUJUSA-N
XLogP3.20
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 66547110) is (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is COC1CCCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)C1.
What is the InChIKey of (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is NUHOYAGYYOGTKL-WHCXFUJUSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3/t17?,19-/m1/s1.
What are the key properties of (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
(3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 340.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 66547110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).