methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate

C22H27N3O4 — CID 54670763

IUPACmethyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C22H27N3O4/c1-27-22(26)17-4-5-20(24-15-17)25-11-6-18(7-12-25)29-21-19(3-2-10-23-21)16-8-13-28-14-9-16/h2-5,10,15-16,18H,6-9,11-14H2,1H3
InChIKeyAAEGZXRDDOKMSA-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.20
Rot. Bonds5

About methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate

methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 54670763) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID54670763
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Namemethyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C22H27N3O4/c1-27-22(26)17-4-5-20(24-15-17)25-11-6-18(7-12-25)29-21-19(3-2-10-23-21)16-8-13-28-14-9-16/h2-5,10,15-16,18H,6-9,11-14H2,1H3
InChIKeyAAEGZXRDDOKMSA-UHFFFAOYSA-N
XLogP3.20
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 123312806
methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
CID 134258128
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate (CID 54670763) is methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1.
What is the InChIKey of methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is AAEGZXRDDOKMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-22(26)17-4-5-20(24-15-17)25-11-6-18(7-12-25)29-21-19(3-2-10-23-21)16-8-13-28-14-9-16/h2-5,10,15-16,18H,6-9,11-14H2,1H3.
What are the key properties of methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate?
methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 54670763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).