isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C25H27N3O3 — CID 54670305

IUPACisoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C25H27N3O3/c29-25(23-16-19-4-1-2-5-20(19)17-27-23)28-12-7-21(8-13-28)31-24-22(6-3-11-26-24)18-9-14-30-15-10-18/h1-6,11,16-18,21H,7-10,12-15H2
InChIKeyNFWMFRCADUDQPW-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.21
Rot. Bonds4

About isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 54670305) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID54670305
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Nameisoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C25H27N3O3/c29-25(23-16-19-4-1-2-5-20(19)17-27-23)28-12-7-21(8-13-28)31-24-22(6-3-11-26-24)18-9-14-30-15-10-18/h1-6,11,16-18,21H,7-10,12-15H2
InChIKeyNFWMFRCADUDQPW-UHFFFAOYSA-N
XLogP4.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 54670763
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5-hydroxy-2-pyridinyl)methanone
CID 154846075
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 58997033
isoquinolin-3-yl-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380558
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003

Frequently Asked Questions

What is the IUPAC name of isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 54670305) is isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1cc2ccccc2cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1.
What is the InChIKey of isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is NFWMFRCADUDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-25(23-16-19-4-1-2-5-20(19)17-27-23)28-12-7-21(8-13-28)31-24-22(6-3-11-26-24)18-9-14-30-15-10-18/h1-6,11,16-18,21H,7-10,12-15H2.
What are the key properties of isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 54670305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).