7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C23H31N3O2 — CID 166766447

IUPAC7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC[C@H](c1cnc2c(c1)OCCO2)N1CCC[C@H](Cc2cc(C)nc(C)c2)C1
InChIInChI=1S/C23H31N3O2/c1-4-21(20-13-22-23(24-14-20)28-9-8-27-22)26-7-5-6-18(15-26)12-19-10-16(2)25-17(3)11-19/h10-11,13-14,18,21H,4-9,12,15H2,1-3H3/t18-,21-/m1/s1
InChIKeyAZTFOMCRQLENOC-WIYYLYMNSA-N
MW381.52 g/mol
LogP4.27
Rot. Bonds5

About 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 166766447) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID166766447
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC[C@H](c1cnc2c(c1)OCCO2)N1CCC[C@H](Cc2cc(C)nc(C)c2)C1
InChIInChI=1S/C23H31N3O2/c1-4-21(20-13-22-23(24-14-20)28-9-8-27-22)26-7-5-6-18(15-26)12-19-10-16(2)25-17(3)11-19/h10-11,13-14,18,21H,4-9,12,15H2,1-3H3/t18-,21-/m1/s1
InChIKeyAZTFOMCRQLENOC-WIYYLYMNSA-N
XLogP4.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 166766447) is 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC[C@H](c1cnc2c(c1)OCCO2)N1CCC[C@H](Cc2cc(C)nc(C)c2)C1.
What is the InChIKey of 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is AZTFOMCRQLENOC-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-21(20-13-22-23(24-14-20)28-9-8-27-22)26-7-5-6-18(15-26)12-19-10-16(2)25-17(3)11-19/h10-11,13-14,18,21H,4-9,12,15H2,1-3H3/t18-,21-/m1/s1.
What are the key properties of 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 381.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 166766447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).