[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C25H34N6O3 — CID 155569329

IUPAC[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(c4cc(N5CCOCC5)ncn4)CC3)CC2)nc1
InChIInChI=1S/C25H34N6O3/c1-19-2-3-24(26-17-19)34-21-6-10-31(11-7-21)25(32)20-4-8-29(9-5-20)22-16-23(28-18-27-22)30-12-14-33-15-13-30/h2-3,16-18,20-21H,4-15H2,1H3
InChIKeyTUZNSQSWMGDXAP-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.30
Rot. Bonds5

About [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155569329) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155569329
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(c4cc(N5CCOCC5)ncn4)CC3)CC2)nc1
InChIInChI=1S/C25H34N6O3/c1-19-2-3-24(26-17-19)34-21-6-10-31(11-7-21)25(32)20-4-8-29(9-5-20)22-16-23(28-18-27-22)30-12-14-33-15-13-30/h2-3,16-18,20-21H,4-15H2,1H3
InChIKeyTUZNSQSWMGDXAP-UHFFFAOYSA-N
XLogP2.30
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155569329) is [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3CCN(c4cc(N5CCOCC5)ncn4)CC3)CC2)nc1.
What is the InChIKey of [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is TUZNSQSWMGDXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-19-2-3-24(26-17-19)34-21-6-10-31(11-7-21)25(32)20-4-8-29(9-5-20)22-16-23(28-18-27-22)30-12-14-33-15-13-30/h2-3,16-18,20-21H,4-15H2,1H3.
What are the key properties of [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155569329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).