8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene

C21H25N3O2 — CID 123724651

IUPAC8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESCOC1CCCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C21H25N3O2/c1-14(2)26-16-6-7-19-18(12-16)21(23-19)15-8-9-22-20(11-15)24-10-4-5-17(13-24)25-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3
InChIKeyKTLNXFKXNQRYOJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.97
Rot. Bonds5

About 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene

8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene (PubChem CID 123724651) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene.

Molecular Properties

Compound Name8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
PubChem CID123724651
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESCOC1CCCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C21H25N3O2/c1-14(2)26-16-6-7-19-18(12-16)21(23-19)15-8-9-22-20(11-15)24-10-4-5-17(13-24)25-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3
InChIKeyKTLNXFKXNQRYOJ-UHFFFAOYSA-N
XLogP3.97
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyloxy-8-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 90399905
8-[6-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123289473
8-[2-(4-methylsulfanyl-1,4-diazepan-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123221378
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
N-ethyl-1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]ethanamine
CID 102959126
5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
CID 90401021
8-[6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]-3-(1-methoxypropan-2-yloxy)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123166024
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 46206953
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The IUPAC name of 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene (CID 123724651) is 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene.
What is the SMILES notation for 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The canonical SMILES for 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene is COC1CCCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ccn2)C1.
What is the InChIKey of 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The InChIKey is KTLNXFKXNQRYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)26-16-6-7-19-18(12-16)21(23-19)15-8-9-22-20(11-15)24-10-4-5-17(13-24)25-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3.
What are the key properties of 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene has a molecular weight of 351.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene is sourced from PubChem (CID 123724651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).