1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone

C22H28N4O2 — CID 58548087

IUPAC1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H28N4O2/c1-17(27)25-13-7-18(8-14-25)20-5-4-12-24-22(20)28-19-9-15-26(16-10-19)21-6-2-3-11-23-21/h2-6,11-12,18-19H,7-10,13-16H2,1H3
InChIKeyHIUBRIPXPAWVCF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.25
Rot. Bonds4

About 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 58548087) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID58548087
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H28N4O2/c1-17(27)25-13-7-18(8-14-25)20-5-4-12-24-22(20)28-19-9-15-26(16-10-19)21-6-2-3-11-23-21/h2-6,11-12,18-19H,7-10,13-16H2,1H3
InChIKeyHIUBRIPXPAWVCF-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 54670763
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 58548087) is 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is HIUBRIPXPAWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(27)25-13-7-18(8-14-25)20-5-4-12-24-22(20)28-19-9-15-26(16-10-19)21-6-2-3-11-23-21/h2-6,11-12,18-19H,7-10,13-16H2,1H3.
What are the key properties of 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 380.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58548087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).