piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone

C24H24N2O2 — CID 156811035

IUPACpiperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone
SMILESO=C(c1ccc(COc2ccccc2-c2ccccn2)cc1)N1CCCCC1
InChIInChI=1S/C24H24N2O2/c27-24(26-16-6-1-7-17-26)20-13-11-19(12-14-20)18-28-23-10-3-2-8-21(23)22-9-4-5-15-25-22/h2-5,8-15H,1,6-7,16-18H2
InChIKeyFBSOQKWDRDDTNP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.95
Rot. Bonds5

About piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone

piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone (PubChem CID 156811035) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone
PubChem CID156811035
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Namepiperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone
SMILESO=C(c1ccc(COc2ccccc2-c2ccccn2)cc1)N1CCCCC1
InChIInChI=1S/C24H24N2O2/c27-24(26-16-6-1-7-17-26)20-13-11-19(12-14-20)18-28-23-10-3-2-8-21(23)22-9-4-5-15-25-22/h2-5,8-15H,1,6-7,16-18H2
InChIKeyFBSOQKWDRDDTNP-UHFFFAOYSA-N
XLogP4.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone (CID 156811035) is piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone is O=C(c1ccc(COc2ccccc2-c2ccccn2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone?
The InChIKey is FBSOQKWDRDDTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(26-16-6-1-7-17-26)20-13-11-19(12-14-20)18-28-23-10-3-2-8-21(23)22-9-4-5-15-25-22/h2-5,8-15H,1,6-7,16-18H2.
What are the key properties of piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone?
piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone is sourced from PubChem (CID 156811035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).