N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C23H27N3O3 — CID 71735245

IUPACN-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc([C@H]2COc3cccnc3O2)cc1
InChIInChI=1S/C23H27N3O3/c1-15(27)25-18-11-19-8-9-20(12-18)26(19)13-16-4-6-17(7-5-16)22-14-28-21-3-2-10-24-23(21)29-22/h2-7,10,18-20,22H,8-9,11-14H2,1H3,(H,25,27)/t19-,20-,22-/m1/s1
InChIKeyORENEKQWPYJXFE-KCZVDYSFSA-N
MW393.49 g/mol
LogP3.23
Rot. Bonds4

About N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 71735245) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID71735245
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc([C@H]2COc3cccnc3O2)cc1
InChIInChI=1S/C23H27N3O3/c1-15(27)25-18-11-19-8-9-20(12-18)26(19)13-16-4-6-17(7-5-16)22-14-28-21-3-2-10-24-23(21)29-22/h2-7,10,18-20,22H,8-9,11-14H2,1H3,(H,25,27)/t19-,20-,22-/m1/s1
InChIKeyORENEKQWPYJXFE-KCZVDYSFSA-N
XLogP3.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 71735245) is N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc([C@H]2COc3cccnc3O2)cc1.
What is the InChIKey of N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is ORENEKQWPYJXFE-KCZVDYSFSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(27)25-18-11-19-8-9-20(12-18)26(19)13-16-4-6-17(7-5-16)22-14-28-21-3-2-10-24-23(21)29-22/h2-7,10,18-20,22H,8-9,11-14H2,1H3,(H,25,27)/t19-,20-,22-/m1/s1.
What are the key properties of N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 71735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).