[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone

C21H25N3O3 — CID 58548051

IUPAC[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C21H25N3O3/c25-21(19-5-1-2-10-22-19)24-12-6-17(7-13-24)27-20-18(4-3-11-23-20)16-8-14-26-15-9-16/h1-5,10-11,16-17H,6-9,12-15H2
InChIKeySMTWYNDEVGFEAV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.05
Rot. Bonds4

About [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 58548051) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID58548051
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C21H25N3O3/c25-21(19-5-1-2-10-22-19)24-12-6-17(7-13-24)27-20-18(4-3-11-23-20)16-8-14-26-15-9-16/h1-5,10-11,16-17H,6-9,12-15H2
InChIKeySMTWYNDEVGFEAV-UHFFFAOYSA-N
XLogP3.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone (CID 58548051) is [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1.
What is the InChIKey of [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is SMTWYNDEVGFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(19-5-1-2-10-22-19)24-12-6-17(7-13-24)27-20-18(4-3-11-23-20)16-8-14-26-15-9-16/h1-5,10-11,16-17H,6-9,12-15H2.
What are the key properties of [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 58548051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).