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

C22H27N3O3 — CID 54670208

IUPAC(5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C22H27N3O3/c1-16-4-5-20(24-15-16)22(26)25-11-6-18(7-12-25)28-21-19(3-2-10-23-21)17-8-13-27-14-9-17/h2-5,10,15,17-18H,6-9,11-14H2,1H3
InChIKeyASJRRLNHGJBBBS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.36
Rot. Bonds4

About (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 54670208) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID54670208
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C22H27N3O3/c1-16-4-5-20(24-15-16)22(26)25-11-6-18(7-12-25)28-21-19(3-2-10-23-21)17-8-13-27-14-9-17/h2-5,10,15,17-18H,6-9,11-14H2,1H3
InChIKeyASJRRLNHGJBBBS-UHFFFAOYSA-N
XLogP3.36
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 54670208) is (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1.
What is the InChIKey of (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is ASJRRLNHGJBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-5-20(24-15-16)22(26)25-11-6-18(7-12-25)28-21-19(3-2-10-23-21)17-8-13-27-14-9-17/h2-5,10,15,17-18H,6-9,11-14H2,1H3.
What are the key properties of (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 54670208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).