4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one

C25H28N2O3 — CID 24780883

IUPAC4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2
InChIKeyLOVAEQYMKDVCHF-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.28
Rot. Bonds8

About 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one

4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 24780883) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID24780883
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2
InChIKeyLOVAEQYMKDVCHF-UHFFFAOYSA-N
XLogP4.28
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one (CID 24780883) is 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is LOVAEQYMKDVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2.
What are the key properties of 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one?
4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 404.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 24780883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).