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

C22H27N3O3 — CID 54670211

IUPAC(4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-10-23-20(15-16)22(26)25-11-5-18(6-12-25)28-21-19(3-2-9-24-21)17-7-13-27-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyCCCRIOXICYTJHH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.36
Rot. Bonds4

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

(4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 54670211) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID54670211
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-10-23-20(15-16)22(26)25-11-5-18(6-12-25)28-21-19(3-2-9-24-21)17-7-13-27-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyCCCRIOXICYTJHH-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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CID 24792119

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 54670211) is (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is Cc1ccnc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is CCCRIOXICYTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-10-23-20(15-16)22(26)25-11-5-18(6-12-25)28-21-19(3-2-9-24-21)17-7-13-27-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3.
What are the key properties of (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(4-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 (4-methyl-2-pyridinyl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 54670211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).